16187761 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 16 16 8 8 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 6 6 6 7 7 8 8 8 9 10 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 16 16 17 18 19 19 20 22 22 23 23 24 24 25 26 26 26 27 27 28 29 29 29 4 5 7 20 20 28 17 13 15 17 16 41 9 21 22 18 21 25 12 13 16 30 14 31 32 33 34 15 35 36 37 38 39 40 18 19 21 42 23 24 26 27 43 25 44 29 45 46 47 28 48 49 50 51 52 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 11 12 13 16 30 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 11.6279 13.2157 7.6279 11.6279 11.6279 7.6279 10.6279 4.5981 5.5443 3.732 9.1279 8.6279 8.6279 7.6279 7.1279 10.1279 7.1279 6.1279 5.5443 12.6279 4.5981 3.732 13.2157 2.866 2.866 3.732 14.1667 14.1667 2 9.4379 9.2105 8.5202 8.5202 9.2105 7.7356 7.0453 6.653 6.653 10.0202 10.7105 10.3179 5.7369 13.0241 2.3291 3.112 3.732 4.352 14.6683 14.6683 2.31 1.4631 1.69 1.799 0.99 -1.6651 2.799 0.799 0.067 1.799 -1.299 -1.6038 0.201 0.933 1.799 0.067 1.799 0.933 0.933 -0.799 -0.799 0.0057 1.799 -0.299 -1.799 2.6081 -1.299 -0.299 -2.799 2.299 1.299 0.201 1.47 2.0111 2.4096 -0.5436 -0.1451 2.4096 2.0111 1.3315 0.5345 0.3224 0.721 2.336 0.595 3.1977 -1.609 -2.799 -3.419 -2.799 2.6635 0.9346 0.7379 0.511 -0.336 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 2 2 8 8 8 9 10 10 11 18 19 20 22 23 24 27 20 28 9 21 22 18 21 25 16 19 21 23 24 27 25 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 700 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0006000000000000000000000000001624000002C580000000000005801F800001E04184000000D08C5D704B3B19F48100AAE0127727470D385BB270AB05D98B9B864D888685260CDD1148508681E02E849A21400000C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-piperidyl]methyl]thiophene-2-sulfonamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-[(5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinyl)-oxomethyl]-3-piperidinyl]methyl]-2-thiophenesulfonamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[[1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)carbonylpiperidin-3-yl]methyl]thiophene-2-sulfonamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[[1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)-3-piperidyl]methyl]thiophene-2-sulfonamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H23N5O3S2/c1-13-9-14(2)24-17(21-13)10-16(22-24)19(25)23-7-3-5-15(12-23)11-20-29(26,27)18-6-4-8-28-18/h4,6,8-10,15,20H,3,5,7,11-12H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PZBXQEKALWIWBJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.12423196 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H23N5O3S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NC2=CC(=NN12)C(=O)N3CCCC(C3)CNS(=O)(=O)C4=CC=CS4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC(=NC2=CC(=NN12)C(=O)N3CCCC(C3)CNS(=O)(=O)C4=CC=CS4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 133 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 433.12423196 29 1 0 1 0 0 0 0 1 -1