[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone

C118H126Cl2FN23O9 — CID 167611281

IUPAC[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone
SMILESCC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnn(C)c2)CC1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)nc1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1
InChIInChI=1S/2C21H23N3O2.C20H21FN4O2.C20H22N4O.C18H20ClN5O.C18H17ClN4O/c2*1-15-9-11-23(12-10-15)21(25)16-3-8-20-19(13-16)22-14-24(20)17-4-6-18(26-2)7-5-17;1-20(21)7-9-24(10-8-20)19(26)14-11-17-18(22-12-14)25(13-23-17)15-3-5-16(27-2)6-4-15;1-14-7-9-23(10-8-14)20(25)16-4-5-18-17(11-16)22-13-24(18)19-6-3-15(2)12-21-19;1-12-3-5-23(6-4-12)18(25)13-7-15-16(19)11-24(17(15)20-8-13)14-9-21-22(2)10-14;19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22/h2*3-8,13-15H,9-12H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-14H,7-10H2,1-2H3;7-12H,3-6H2,1-2H3;4-6,9-12H,1-3,7-8H2
InChIKeyLBZMYBHYBFBNDH-UHFFFAOYSA-N
MW2100.36 g/mol
LogP21.77
Rot. Bonds15

About [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone

[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone (PubChem CID 167611281) has the molecular formula C118H126Cl2FN23O9 and a molecular weight of 2100.36 g/mol. Its IUPAC name is [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone
PubChem CID167611281
Molecular FormulaC118H126Cl2FN23O9
Molecular Weight2100.36 g/mol
Exact Mass2097.95
IUPAC Name[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone
SMILESCC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnn(C)c2)CC1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)nc1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1
InChIInChI=1S/2C21H23N3O2.C20H21FN4O2.C20H22N4O.C18H20ClN5O.C18H17ClN4O/c2*1-15-9-11-23(12-10-15)21(25)16-3-8-20-19(13-16)22-14-24(20)17-4-6-18(26-2)7-5-17;1-20(21)7-9-24(10-8-20)19(26)14-11-17-18(22-12-14)25(13-23-17)15-3-5-16(27-2)6-4-15;1-14-7-9-23(10-8-14)20(25)16-4-5-18-17(11-16)22-13-24(18)19-6-3-15(2)12-21-19;1-12-3-5-23(6-4-12)18(25)13-7-15-16(19)11-24(17(15)20-8-13)14-9-21-22(2)10-14;19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22/h2*3-8,13-15H,9-12H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-14H,7-10H2,1-2H3;7-12H,3-6H2,1-2H3;4-6,9-12H,1-3,7-8H2
InChIKeyLBZMYBHYBFBNDH-UHFFFAOYSA-N
XLogP21.77
TPSA312.44 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds15
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002100.36
LogP ≤ 521.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone with MolForge

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Related Compounds

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-4H-pyrazol-3-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 157412499
N-[4-(difluoromethoxy)phenyl]-4-fluoro-6-(2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(difluoromethyl)phenyl]pyrazin-2-amine;4-[[6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzaldehyde;6-(2-ethyl-5,6-difluorobenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine
CID 157993298
(5-chloro-2-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-methoxy-5-methylphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;bis([(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone);[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 158185603
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;methane
CID 158461381
(5-chloro-2-methoxyphenyl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;(2-methoxy-5-methylphenyl)-[(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]-(3-methyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-3-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 159571045
[3-chloro-5-(trifluoromethyl)phenyl]-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(3-cyclopentylphenyl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;(6,7-difluoro-1-methoxyisoquinolin-3-yl)-[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(2-methyl-1H-indol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-(7-methyl-2-propyl-3H-benzimidazol-5-yl)methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-4-yl]methanone;[3,3-dimethyl-4-(1-phenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)pyrimidin-2-yl]methanone
CID 159760546
[4-(3-Cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(4-fluorophenyl)methanone;2-(2,5-dichlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;2-(3,4-dichlorophenyl)-1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethanone;1-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;6-[4-(4-methoxyphenyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 160250716
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-(2H-triazol-4-ylmethyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2H-triazol-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 160269966
CID 160335025
CID 160335025
N-[[4-(2-azaspiro[3.3]heptan-2-yl)phenyl]methyl]-6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxamide;6-chloro-2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-N-[[2-[4-(trifluoromethoxy)phenyl]-2-azaspiro[3.3]heptan-6-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-methyl-N-[[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 160362419
8-[5-Chloro-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[6-(4-propan-2-ylpiperazin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine;[4-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]-pyrrolidin-1-ylmethanone;5-[2-(2-methoxyphenyl)ethyl]-8-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 160868600
CID 160911506
CID 160911506

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone?
The IUPAC name of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone (CID 167611281) is [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone.
What is the SMILES notation for [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone?
The canonical SMILES for [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone is CC1CCN(C(=O)c2cnc3c(c2)c(Cl)cn3-c2cnn(C)c2)CC1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)(F)CC4)cnc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.COc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)cc1.Cc1ccc(-n2cnc3cc(C(=O)N4CCC(C)CC4)ccc32)nc1.O=C(c1cnc2c(-c3cccc(Cl)c3)cnn2c1)N1CCCCC1.
What is the InChIKey of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone?
The InChIKey is LBZMYBHYBFBNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N3O2.C20H21FN4O2.C20H22N4O.C18H20ClN5O.C18H17ClN4O/c2*1-15-9-11-23(12-10-15)21(25)16-3-8-20-19(13-16)22-14-24(20)17-4-6-18(26-2)7-5-17;1-20(21)7-9-24(10-8-20)19(26)14-11-17-18(22-12-14)25(13-23-17)15-3-5-16(27-2)6-4-15;1-14-7-9-23(10-8-14)20(25)16-4-5-18-17(11-16)22-13-24(18)19-6-3-15(2)12-21-19;1-12-3-5-23(6-4-12)18(25)13-7-15-16(19)11-24(17(15)20-8-13)14-9-21-22(2)10-14;19-15-6-4-5-13(9-15)16-11-21-23-12-14(10-20-17(16)23)18(24)22-7-2-1-3-8-22/h2*3-8,13-15H,9-12H2,1-2H3;3-6,11-13H,7-10H2,1-2H3;3-6,11-14H,7-10H2,1-2H3;7-12H,3-6H2,1-2H3;4-6,9-12H,1-3,7-8H2.
What are the key properties of [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone?
[3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone has a molecular weight of 2100.36 g/mol, XLogP of 21.77, 15 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-piperidin-1-ylmethanone;(4-fluoro-4-methylpiperidin-1-yl)-[3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]methanone;bis([1-(4-methoxyphenyl)benzimidazol-5-yl]-(4-methylpiperidin-1-yl)methanone);(4-methylpiperidin-1-yl)-[1-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methanone is sourced from PubChem (CID 167611281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).