216456 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 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 2 2 2 3 4 4 5 5 6 6 7 8 8 9 9 10 10 11 12 12 13 14 15 15 16 16 17 18 18 19 20 21 21 22 22 23 13 3 7 8 11 7 14 17 22 19 20 9 10 12 11 13 15 16 24 14 25 17 26 19 27 20 28 18 21 29 30 31 23 32 23 33 34 2 1 1 1 2 1 2 1 2 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 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 4.3211 3.732 4.6783 2.866 6.2781 2.866 3.732 2.866 4.6783 2.866 5.2619 2 4.9889 2 3.732 2 5.9674 6.6353 3.732 2 7.6138 7.2566 7.9244 5.8819 1.4631 1.4631 4.269 1.4631 6.4427 4.269 1.4631 8.0279 7.4492 8.5311 2.9404 -0.0591 -0.3638 1.4409 3.3529 -3.5591 0.9409 -0.5591 1.2456 -1.5591 0.4409 -0.0591 2.1962 0.9409 -2.0591 -2.0591 2.4024 1.6581 -3.0591 -3.0591 1.8643 3.5591 2.8148 0.4409 -0.3691 1.2509 -1.7491 -1.7491 1.0687 -3.3691 -3.3691 1.4028 4.1484 2.9427 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 4 4 5 5 6 6 7 8 9 10 10 12 15 16 17 18 21 22 3 7 8 11 7 14 17 22 19 20 9 12 11 15 16 14 19 20 18 21 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 425 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 00000371C07BA0000000000000000000000000000001600000002C58B000000000005801FE00001E00080000000C0CC19F043DB09E081000AA03B677640092842B3782A01DD821B864D88828FAC0DDF184A588688802C8C9E71888C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridyl-[7-(4-pyridyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridinyl-(7-pyridin-4-yl-3-pyrazolo[1,5-a]pyrimidinyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-pyridyl-[7-(4-pyridyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OQJFBUOFGHPMSR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 301.09635999 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C17H11N5O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 301.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=NC(=C1)C(=O)C2=C3N=CC=C(N3N=C2)C4=CC=NC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 301.09635999 23 0 0 0 0 0 0 0 1 -1