5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile

C126H138ClN37O6S — CID 157392542

IUPAC5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2cc([C@@H](CC(=O)c3cc4ccccn4n3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cn4ccncc4n3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cnc4ccccn34)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cnn4ccccc34)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccc(Cl)s3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3cn4ccccc4n3)C3CCCCC3)nn2)CC1
InChIInChI=1S/3C22H24N6O.2C21H23N7O.C18H20ClN5OS/c23-15-22(9-10-22)28-14-18(25-26-28)17(16-6-2-1-3-7-16)12-20(29)19-13-24-21-8-4-5-11-27(19)21;23-15-22(9-10-22)28-14-19(25-26-28)17(16-6-2-1-3-7-16)12-21(29)18-13-24-27-11-5-4-8-20(18)27;23-15-22(9-10-22)28-14-20(24-26-28)18(16-6-2-1-3-7-16)13-21(29)19-12-17-8-4-5-11-27(17)25-19;22-14-21(9-10-21)28-13-16(25-26-28)19(15-6-2-1-3-7-15)24-20(29)17-12-27-11-5-4-8-18(27)23-17;22-14-21(6-7-21)28-13-17(25-26-28)16(15-4-2-1-3-5-15)10-19(29)18-12-27-9-8-23-11-20(27)24-18;19-15-7-6-14(26-15)17(25)21-16(12-4-2-1-3-5-12)13-10-24(23-22-13)18(11-20)8-9-18/h2*4-5,8,11,13-14,16-17H,1-3,6-7,9-10,12H2;4-5,8,11-12,14,16,18H,1-3,6-7,9-10,13H2;4-5,8,11-13,15,19H,1-3,6-7,9-10H2,(H,24,29);8-9,11-13,15-16H,1-7,10H2;6-7,10,12,16H,1-5,8-9H2,(H,21,25)/t2*17-;18-;19-;2*16-/m000000/s1
InChIKeyBMEFMBKYPCGJTA-ASNSUZRWSA-N
MW2334.26 g/mol
LogP21.94
Rot. Bonds34

About 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile

5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile (PubChem CID 157392542) has the molecular formula C126H138ClN37O6S and a molecular weight of 2334.26 g/mol. Its IUPAC name is 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile
PubChem CID157392542
Molecular FormulaC126H138ClN37O6S
Molecular Weight2334.26 g/mol
Exact Mass2332.10
IUPAC Name5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(n2cc([C@@H](CC(=O)c3cc4ccccn4n3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cn4ccncc4n3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cnc4ccccn34)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cnn4ccccc34)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccc(Cl)s3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3cn4ccccc4n3)C3CCCCC3)nn2)CC1
InChIInChI=1S/3C22H24N6O.2C21H23N7O.C18H20ClN5OS/c23-15-22(9-10-22)28-14-18(25-26-28)17(16-6-2-1-3-7-16)12-20(29)19-13-24-21-8-4-5-11-27(19)21;23-15-22(9-10-22)28-14-19(25-26-28)17(16-6-2-1-3-7-16)12-21(29)18-13-24-27-11-5-4-8-20(18)27;23-15-22(9-10-22)28-14-20(24-26-28)18(16-6-2-1-3-7-16)13-21(29)19-12-17-8-4-5-11-27(17)25-19;22-14-21(9-10-21)28-13-16(25-26-28)19(15-6-2-1-3-7-15)24-20(29)17-12-27-11-5-4-8-18(27)23-17;22-14-21(6-7-21)28-13-17(25-26-28)16(15-4-2-1-3-5-15)10-19(29)18-12-27-9-8-23-11-20(27)24-18;19-15-7-6-14(26-15)17(25)21-16(12-4-2-1-3-5-12)13-10-24(23-22-13)18(11-20)8-9-18/h2*4-5,8,11,13-14,16-17H,1-3,6-7,9-10,12H2;4-5,8,11-12,14,16,18H,1-3,6-7,9-10,13H2;4-5,8,11-13,15,19H,1-3,6-7,9-10H2,(H,24,29);8-9,11-13,15-16H,1-7,10H2;6-7,10,12,16H,1-5,8-9H2,(H,21,25)/t2*17-;18-;19-;2*16-/m000000/s1
InChIKeyBMEFMBKYPCGJTA-ASNSUZRWSA-N
XLogP21.94
TPSA552.87 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds34
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.26
LogP ≤ 521.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

1,1,1-trifluoropropan-2-yl 1-(5-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(5-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(pyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 157356381
CID 158271485
CID 158271485
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-chloro-1-propylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethylthiophen-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 161132556
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-chloro-1-propylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethylthiophen-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 161387586
5-(5-chloro-3-pyridinyl)-N-[(1R)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(5-chloro-3-pyridinyl)-N-(2-cyclopropylpropan-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-5-(3-isocyanothiophen-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(1-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(3-methylbenzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163922491
5-chloro-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-fluoropyrimidine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrazine-2-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-methylpyridine-2-carboxamide
CID 157138420
[4-[[2-(4-Chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;2-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 157439796
1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157506457
azetidin-1-yl-(3-pyrazolo[1,5-a]pyridin-6-ylimidazo[1,2-b]pyridazin-2-yl)methanone;3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine-2-carboxamide;3-(6-cyano-3-pyridinyl)-N-cyclopropylimidazo[1,2-b]pyridazine-2-carboxamide;N-cyclopropyl-3-([1,2,4]triazolo[1,5-a]pyridin-6-yl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 157752470
[4-[[2-(4-Chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-thiazol-2-yl)methanone
CID 158134411
3-[1-(7-acetylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-N-cyclopropyl-4-methylbenzamide;5-[1-(6-tert-butylsulfonylimidazo[1,2-a]pyridin-3-yl)pyrazol-4-yl]-4-chloro-N-cyclopropyl-2-fluorobenzamide;4-chloro-N-cyclopropyl-2-fluoro-5-(1-pyrazolo[1,5-a]pyridin-3-ylpyrazol-4-yl)benzamide;3-[4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 158373213
3-(1-Benzothiophen-2-ylmethyl)-5-(1-cyclohexylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-[(3-chloroindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizine-3-carbaldehyde
CID 158417320

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile (CID 157392542) is 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile is N#CC1(n2cc([C@@H](CC(=O)c3cc4ccccn4n3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cn4ccncc4n3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cnc4ccccn34)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](CC(=O)c3cnn4ccccc34)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3ccc(Cl)s3)C3CCCCC3)nn2)CC1.N#CC1(n2cc([C@@H](NC(=O)c3cn4ccccc4n3)C3CCCCC3)nn2)CC1.
What is the InChIKey of 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile?
The InChIKey is BMEFMBKYPCGJTA-ASNSUZRWSA-N. The full InChI is InChI=1S/3C22H24N6O.2C21H23N7O.C18H20ClN5OS/c23-15-22(9-10-22)28-14-18(25-26-28)17(16-6-2-1-3-7-16)12-20(29)19-13-24-21-8-4-5-11-27(19)21;23-15-22(9-10-22)28-14-19(25-26-28)17(16-6-2-1-3-7-16)12-21(29)18-13-24-27-11-5-4-8-20(18)27;23-15-22(9-10-22)28-14-20(24-26-28)18(16-6-2-1-3-7-16)13-21(29)19-12-17-8-4-5-11-27(17)25-19;22-14-21(9-10-21)28-13-16(25-26-28)19(15-6-2-1-3-7-15)24-20(29)17-12-27-11-5-4-8-18(27)23-17;22-14-21(6-7-21)28-13-17(25-26-28)16(15-4-2-1-3-5-15)10-19(29)18-12-27-9-8-23-11-20(27)24-18;19-15-7-6-14(26-15)17(25)21-16(12-4-2-1-3-5-12)13-10-24(23-22-13)18(11-20)8-9-18/h2*4-5,8,11,13-14,16-17H,1-3,6-7,9-10,12H2;4-5,8,11-12,14,16,18H,1-3,6-7,9-10,13H2;4-5,8,11-13,15,19H,1-3,6-7,9-10H2,(H,24,29);8-9,11-13,15-16H,1-7,10H2;6-7,10,12,16H,1-5,8-9H2,(H,21,25)/t2*17-;18-;19-;2*16-/m000000/s1.
What are the key properties of 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile?
5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile has a molecular weight of 2334.26 g/mol, XLogP of 21.94, 34 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 157392542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).