68252278 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 8 7 7 7 7 7 7 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 7 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 15 15 16 17 17 18 19 19 20 21 22 22 22 11 22 8 13 26 5 9 17 13 14 16 14 21 18 36 37 11 12 23 10 15 14 16 24 25 27 28 29 19 18 30 31 20 32 20 21 33 34 35 38 39 40 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 8 2 12 11 23 2 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 10.2594 8.6596 5.135 7.3704 6.0812 5.724 2.5369 8.9702 5.135 6.0812 9.9487 8.3024 7.6811 6.3919 4.269 6.6648 4.269 3.403 7.0132 3.403 6.0347 11.2379 8.3636 9.9693 10.5626 9.0736 8.7638 7.8883 7.8409 4.269 7.2848 4.269 7.2058 2.866 5.6207 2 2.5369 11.3658 11.8446 11.11 3.0096 0.9024 -2.7158 -0.2544 -3.0206 0.2837 -1.2158 1.8529 -1.7158 -1.4111 2.0591 2.5972 0.6961 -0.4606 -1.2158 -2.2158 -3.2158 -1.7158 1.4404 -2.7158 1.2342 3.2158 1.725 1.4394 1.9718 0.4409 3.0112 3.0587 2.1831 -0.5958 -2.2158 -3.8358 2.0298 -3.0258 1.6957 -1.5258 -0.5958 2.6092 3.3437 3.8225 8 8 8 8 8 8 8 8 5 8 8 8 8 8 8 8 8 3 3 3 4 4 5 6 6 8 9 9 10 13 15 17 18 19 5 9 17 13 14 16 14 21 2 10 15 16 19 18 20 20 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 357 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073A0000000000000000000000000000001600000002C580000000000005801F800001E00180000000C28E19F063FF0B6C81400A203366764009284293182A019D8A03864988A28E2C0D9D185A408689802D8C8271080400C00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-[[(1S)-2-methoxy-1-methyl-ethyl]amino]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-5-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-[[(2S)-1-methoxypropan-2-yl]amino]-2-pyrimidinyl]-5-pyrazolo[1,5-a]pyridinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-[[(2<I>S</I>)-1-methoxypropan-2-yl]amino]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-5-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-5-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-[4-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-2-yl]pyrazolo[1,5-a]pyridin-5-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(5-aminopyrazolo[1,5-a]pyridin-3-yl)pyrimidin-4-yl]-[(1S)-2-methoxy-1-methyl-ethyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H18N6O/c1-10(9-22-2)19-14-3-5-17-15(20-14)12-8-18-21-6-4-11(16)7-13(12)21/h3-8,10H,9,16H2,1-2H3,(H,17,19,20)/t10-/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WMQUTOKHYLASLZ-JTQLQIEISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.15420922 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H18N6O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(COC)NC1=NC(=NC=C1)C2=C3C=C(C=CN3N=C2)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C[C@@H](COC)NC1=NC(=NC=C1)C2=C3C=C(C=CN3N=C2)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 90.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 298.15420922 22 1 1 0 0 0 0 0 1 -1