5719 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 8 7 7 7 7 7 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 2 2 2 3 3 3 4 5 5 6 7 7 7 8 8 9 10 11 11 11 12 12 13 13 14 15 16 16 17 18 18 18 19 19 20 21 22 22 22 17 8 11 17 4 9 14 21 14 20 23 9 10 12 10 13 16 24 18 25 26 15 27 15 28 19 29 20 30 22 31 32 33 21 23 34 35 36 37 38 2 1 1 1 1 1 1 2 1 2 3 1 2 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 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 4.5981 3.732 6.3301 7.2764 5.4641 7.8977 5.4641 4.5981 5.4641 4.5981 2.866 6.3301 5.4641 6.3301 6.3301 4.5981 3.732 2 7.2764 4.5981 7.86 2.866 7.587 4.0611 3.2646 2.4675 6.8671 5.4641 6.8671 4.0611 1.69 1.4631 2.31 4.0611 8.48 2.556 2.3291 3.176 -4.1029 -2.6029 0.8971 0.5924 2.3971 4.1029 -0.6029 -2.1029 0.3971 -1.1029 -2.1029 -1.1029 -2.6029 1.8971 -2.1029 0.8971 -3.6029 -2.6029 2.2018 1.8971 1.3971 -4.1029 3.1524 -0.7929 -1.6279 -1.6279 -0.7929 -3.2229 -2.4129 0.5871 -2.066 -2.9129 -3.1398 2.2071 1.3971 -3.566 -4.4129 -4.6398 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 5 5 7 7 8 8 9 12 13 14 16 19 4 9 14 21 14 20 10 12 10 13 16 15 15 19 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 487 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07BA0000000000000000000000000000001600000003C400000000000005801F000001E00080000000C08C19F043FF09F081000BA0737777400B2842B3182A01DD82038649888A8E2C0D9D184A408688E02C8C8271080800E00000040000000000000008000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(3-cyano-7-pyrazolo[1,5-a]pyrimidinyl)phenyl]-N-ethylacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-<I>N</I>-ethylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethyl-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17/h4-9,11H,3H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HUNXMJYCHXQEGX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.12766012 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H15N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.33 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.12766012 23 0 0 0 0 0 0 0 1 1