67374982 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 8 7 7 7 7 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 2 2 2 3 3 3 4 4 5 6 6 6 7 7 7 8 8 9 10 11 12 12 12 13 14 14 15 15 16 16 17 18 18 19 19 20 21 21 21 8 21 6 10 23 5 9 18 10 11 13 8 12 22 9 11 13 24 25 16 14 15 26 27 28 29 17 30 17 31 19 32 33 20 34 20 35 36 37 38 39 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 6 2 8 12 22 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 8.8564 7.2566 3.732 5.9674 4.6783 7.5673 4.6783 8.5458 3.732 6.2781 4.9889 6.8994 5.2619 5.6103 4.3211 2.866 4.6318 2.866 2 2 9.8349 6.9606 7.6707 8.5663 9.1596 7.3609 6.4854 6.438 5.8819 5.8029 3.7144 2.866 4.2177 2.866 1.4631 1.4631 9.9628 10.4416 9.7071 3.0096 0.9024 -2.7158 -0.2544 -3.0206 1.8529 -1.4111 2.0591 -1.7158 0.6961 -0.4606 2.5972 -2.2158 1.4404 0.2837 -1.2158 1.2342 -3.2158 -1.7158 -2.7158 3.2158 1.725 0.4409 1.4394 1.9718 3.0112 3.0587 2.1831 -2.2158 2.0298 0.1559 -0.5958 1.6957 -3.8358 -1.4058 -3.0258 2.6092 3.3437 3.8225 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 6 7 7 9 10 11 14 15 16 18 19 5 9 18 10 11 13 12 9 13 16 14 15 17 17 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 327 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371E07BA0000000000000000000000000000001600000002C580000000000005801F800001E00180000000C28E19E063FF0B2C81400A2033667640092842931822019D8A03864988A20E2C0D9D185A408689802D8C8271080C00E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxy-1-methyl-ethyl)-6-pyrazolo[1,5-a]pyridin-3-yl-pyridin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1-methoxypropan-2-yl)-6-(3-pyrazolo[1,5-a]pyridinyl)-2-pyridinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(1-methoxypropan-2-yl)-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1-methoxypropan-2-yl)-6-pyrazolo[1,5-a]pyridin-3-ylpyridin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(1-methoxypropan-2-yl)-6-pyrazolo[1,5-a]pyridin-3-yl-pyridin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (2-methoxy-1-methyl-ethyl)-(6-pyrazolo[1,5-a]pyridin-3-yl-2-pyridyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H18N4O/c1-12(11-21-2)18-16-8-5-6-14(19-16)13-10-17-20-9-4-3-7-15(13)20/h3-10,12H,11H2,1-2H3,(H,18,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LQZMRKDBNMIFJW-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 2021.05.07 282.14806121 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H18N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.34 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(COC)NC1=CC=CC(=N1)C2=C3C=CC=CN3N=C2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(COC)NC1=CC=CC(=N1)C2=C3C=CC=CN3N=C2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 51.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 282.14806121 21 1 0 1 0 0 0 0 1 -1