2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol

C116H146N30O4 — CID 157117537

IUPAC2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCC[C@H]3CCCO)nc12.CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCCC[C@@H]3CCO)nc12
InChIInChI=1S/2C31H40N8O.C28H35N7O.C26H31N7O/c1-2-24-22-34-39-29(24)35-31(38-16-11-27(12-17-38)26-9-14-37(15-10-26)18-19-40)36-30(39)33-20-23-5-7-25(8-6-23)28-4-3-13-32-21-28;1-2-24-22-34-39-29(24)35-31(38-17-12-26(13-18-38)25-10-15-37(16-11-25)19-20-40)36-30(39)33-21-23-6-8-27(9-7-23)28-5-3-4-14-32-28;1-20(2)24-19-31-35-26(24)32-28(34-16-6-4-8-23(34)9-7-17-36)33-27(35)30-18-21-11-13-22(14-12-21)25-10-3-5-15-29-25;1-2-20-18-29-33-24(20)30-26(32-14-4-3-7-23(32)12-15-34)31-25(33)28-16-19-8-10-21(11-9-19)22-6-5-13-27-17-22/h3-8,13,21-22,26-27,40H,2,9-12,14-20H2,1H3,(H,33,35,36);3-9,14,22,25-26,40H,2,10-13,15-21H2,1H3,(H,33,35,36);3,5,10-15,19-20,23,36H,4,6-9,16-18H2,1-2H3,(H,30,32,33);5-6,8-11,13,17-18,23,34H,2-4,7,12,14-16H2,1H3,(H,28,30,31)/t;;2*23-/m..01/s1
InChIKeyAHOSQPONAFMJFL-RDGBXWDRSA-N
MW2024.65 g/mol
LogP17.72
Rot. Bonds35

About 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol

2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol (PubChem CID 157117537) has the molecular formula C116H146N30O4 and a molecular weight of 2024.65 g/mol. Its IUPAC name is 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol
PubChem CID157117537
Molecular FormulaC116H146N30O4
Molecular Weight2024.65 g/mol
Exact Mass2023.21
IUPAC Name2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol
SMILESCC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCC[C@H]3CCCO)nc12.CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCCC[C@@H]3CCO)nc12
InChIInChI=1S/2C31H40N8O.C28H35N7O.C26H31N7O/c1-2-24-22-34-39-29(24)35-31(38-16-11-27(12-17-38)26-9-14-37(15-10-26)18-19-40)36-30(39)33-20-23-5-7-25(8-6-23)28-4-3-13-32-21-28;1-2-24-22-34-39-29(24)35-31(38-17-12-26(13-18-38)25-10-15-37(16-11-25)19-20-40)36-30(39)33-21-23-6-8-27(9-7-23)28-5-3-4-14-32-28;1-20(2)24-19-31-35-26(24)32-28(34-16-6-4-8-23(34)9-7-17-36)33-27(35)30-18-21-11-13-22(14-12-21)25-10-3-5-15-29-25;1-2-20-18-29-33-24(20)30-26(32-14-4-3-7-23(32)12-15-34)31-25(33)28-16-19-8-10-21(11-9-19)22-6-5-13-27-17-22/h3-8,13,21-22,26-27,40H,2,9-12,14-20H2,1H3,(H,33,35,36);3-9,14,22,25-26,40H,2,10-13,15-21H2,1H3,(H,33,35,36);3,5,10-15,19-20,23,36H,4,6-9,16-18H2,1-2H3,(H,30,32,33);5-6,8-11,13,17-18,23,34H,2-4,7,12,14-16H2,1H3,(H,28,30,31)/t;;2*23-/m..01/s1
InChIKeyAHOSQPONAFMJFL-RDGBXWDRSA-N
XLogP17.72
TPSA372.36 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002024.65
LogP ≤ 517.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol with MolForge

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Related Compounds

(3R,4R)-4-[[[7-[[4-(3-fluoro-2-pyridinyl)phenyl]methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
CID 166529682
1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
3-[3-[2-[[2-(2,2-difluoroethyl)pyrazol-3-yl]amino]-6-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-4-yl]-5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]propan-1-ol
CID 155376547
2-[2-hydroxyethyl-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol;2-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]ethanol
CID 157051452
[2-[(1S)-1-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]ethyl]phenyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157434628
N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;2-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]butan-2-ol;5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(oxan-4-yl)pyrimidin-4-amine
CID 157955004
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-6-methylpiperazin-2-yl]cyclobutan-1-ol;2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]ethanol;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 158688710
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;7-(4-methylcyclohexyl)-5-(2-methyl-4-pyridinyl)-N-[(2S)-1-propan-2-yloxypropan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;7-(4-methylcyclohexyl)-5-(2-methyl-4-pyridinyl)-N-[(2S)-4,4,4-trifluorobutan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 158881650
N-[6-[3-(dimethylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N',N'-dimethyl-N-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]ethane-1,2-diamine;N-[6-[3-(methylamino)propyl]-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;2-[3-[6-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]propylamino]ethanol
CID 159160300
4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]amino]pentan-2-ol;(2S)-4-methyl-1-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pentane-1,2-diamine;(2S)-4-methyl-2-N-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pentane-1,2-diamine;4-methyl-1-[[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 159306534
[6-[6-(cyclohexylamino)-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(2S)-2-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-2-(4-methylphenyl)ethanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)butyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 159647145
3-bromo-5-(oxan-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159700391

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol?
The IUPAC name of 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol (CID 157117537) is 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol.
What is the SMILES notation for 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol?
The canonical SMILES for 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol is CC(C)c1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCCC[C@H]3CCCO)nc12.CCc1cnn2c(NCc3ccc(-c4ccccn4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCC(C4CCN(CCO)CC4)CC3)nc12.CCc1cnn2c(NCc3ccc(-c4cccnc4)cc3)nc(N3CCCC[C@@H]3CCO)nc12.
What is the InChIKey of 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol?
The InChIKey is AHOSQPONAFMJFL-RDGBXWDRSA-N. The full InChI is InChI=1S/2C31H40N8O.C28H35N7O.C26H31N7O/c1-2-24-22-34-39-29(24)35-31(38-16-11-27(12-17-38)26-9-14-37(15-10-26)18-19-40)36-30(39)33-20-23-5-7-25(8-6-23)28-4-3-13-32-21-28;1-2-24-22-34-39-29(24)35-31(38-17-12-26(13-18-38)25-10-15-37(16-11-25)19-20-40)36-30(39)33-21-23-6-8-27(9-7-23)28-5-3-4-14-32-28;1-20(2)24-19-31-35-26(24)32-28(34-16-6-4-8-23(34)9-7-17-36)33-27(35)30-18-21-11-13-22(14-12-21)25-10-3-5-15-29-25;1-2-20-18-29-33-24(20)30-26(32-14-4-3-7-23(32)12-15-34)31-25(33)28-16-19-8-10-21(11-9-19)22-6-5-13-27-17-22/h3-8,13,21-22,26-27,40H,2,9-12,14-20H2,1H3,(H,33,35,36);3-9,14,22,25-26,40H,2,10-13,15-21H2,1H3,(H,33,35,36);3,5,10-15,19-20,23,36H,4,6-9,16-18H2,1-2H3,(H,30,32,33);5-6,8-11,13,17-18,23,34H,2-4,7,12,14-16H2,1H3,(H,28,30,31)/t;;2*23-/m..01/s1.
What are the key properties of 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol?
2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol has a molecular weight of 2024.65 g/mol, XLogP of 17.72, 35 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;2-[4-[1-[8-ethyl-4-[(4-pyridin-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-4-yl]piperidin-1-yl]ethanol;3-[(2S)-1-[8-propan-2-yl-4-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]piperidin-2-yl]propan-1-ol is sourced from PubChem (CID 157117537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).