69325064 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 8 7 7 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 2 3 3 3 4 4 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 17 17 17 18 18 19 20 20 21 21 21 23 23 24 25 26 26 26 27 27 27 11 12 9 10 13 5 19 26 13 25 14 20 22 43 16 22 22 24 11 28 29 12 30 31 32 33 34 35 15 16 17 18 36 19 21 37 38 20 23 24 39 40 27 41 42 25 44 45 46 47 48 49 50 51 52 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 2 3.732 11.6065 4.5981 12.1901 8.0622 9.7942 8.9282 2.866 3.732 2 2.866 4.5981 11.6065 5.4641 10.6603 11.9171 6.3301 10.6603 7.1962 12.8956 8.9282 6.3301 9.7942 5.4641 11.9171 13.2063 3.2646 2.4675 3.9441 4.3426 1.788 1.3894 2.4675 3.2646 5.4641 11.8966 11.3033 6.7976 7.5947 12.9162 13.5095 8.0622 6.8671 9.7942 5.4641 11.3278 12.1097 12.5065 13.7956 13.3989 12.617 -1.0784 -0.0784 -1.3831 1.4216 -0.5784 0.4216 0.4216 -1.0784 0.4216 -1.0784 -0.0784 -1.5784 0.4216 0.2264 -0.0784 -0.0784 1.1769 0.4216 -1.0784 -0.0784 1.3831 -0.0784 1.4216 -1.5784 1.9216 -2.3336 2.3336 0.8966 0.8966 -1.661 -0.9707 0.5042 -0.186 -2.0533 -2.0533 -0.6984 1.7965 1.2642 -0.5533 -0.5533 0.7634 1.2958 1.0416 1.7316 -2.1984 2.5416 -2.5262 -2.9229 -2.141 2.141 2.9229 2.5262 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 7 7 8 8 13 14 15 16 18 19 23 5 19 13 25 14 16 22 22 24 15 16 18 19 23 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000001600000002C58B000000000005801FE00001E00180000000C08E19E063FF0B7C81400A2033667640092842D3192A019D8A03874988A68E2C0D9D197A408688802D8C8271080000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[(2-morpholino-4-pyridyl)methyl]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]-3-propyl-5-pyrazolo[4,3-d]pyrimidinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-<I>N</I>-[(2-morpholin-4-ylpyridin-4-yl)methyl]-3-propylpyrazolo[4,3-d]pyrimidin-5-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-3-propylpyrazolo[4,3-d]pyrimidin-5-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-methyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]-3-propyl-pyrazolo[4,3-d]pyrimidin-5-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1-methyl-3-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)-[(2-morpholino-4-pyridyl)methyl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H25N7O/c1-3-4-15-18-16(25(2)24-15)13-22-19(23-18)21-12-14-5-6-20-17(11-14)26-7-9-27-10-8-26/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,21,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SGZSZJAZSAVMEW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.21205845 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H25N7O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCC1=NN(C2=CN=C(N=C21)NCC3=CC(=NC=C3)N4CCOCC4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCC1=NN(C2=CN=C(N=C21)NCC3=CC(=NC=C3)N4CCOCC4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 81 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.21205845 27 0 0 0 0 0 0 0 1 -1