[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C117H116Cl4FN21O9 — CID 165080318

IUPAC[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cc1ccc(-n2ccc3c(Cl)c(C(=O)N4CCC(F)CC4)cnc32)cn1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1
InChIInChI=1S/C22H22ClN3O2.C20H20ClN3O.C20H19N3O3.C19H18ClFN4O.C19H18ClN3O.C17H19N5O/c1-15(27)12-21-24-19-13-16(22(28)25-10-3-2-4-11-25)8-9-20(19)26(21)18-7-5-6-17(23)14-18;1-14-22-18-12-15(20(25)23-10-3-2-4-11-23)8-9-19(18)24(14)17-7-5-6-16(21)13-17;24-20(22-8-2-1-3-9-22)14-4-6-17-16(10-14)21-12-23(17)15-5-7-18-19(11-15)26-13-25-18;1-12-2-3-14(10-22-12)25-9-6-15-17(20)16(11-23-18(15)25)19(26)24-7-4-13(21)5-8-24;20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-12-15(11-19-20)22-8-5-13-9-14(10-18-16(13)22)17(23)21-6-3-2-4-7-21/h5-9,13-14H,2-4,10-12H2,1H3;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;2-3,6,9-11,13H,4-5,7-8H2,1H3;4-7,10-13H,1-3,8-9H2;5,8-12H,2-4,6-7H2,1H3
InChIKeyUZSGHLIDMNPXCG-UHFFFAOYSA-N
MW2121.16 g/mol
LogP23.05
Rot. Bonds14

About [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 165080318) has the molecular formula C117H116Cl4FN21O9 and a molecular weight of 2121.16 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID165080318
Molecular FormulaC117H116Cl4FN21O9
Molecular Weight2121.16 g/mol
Exact Mass2117.80
IUPAC Name[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
SMILESCC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cc1ccc(-n2ccc3c(Cl)c(C(=O)N4CCC(F)CC4)cnc32)cn1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1
InChIInChI=1S/C22H22ClN3O2.C20H20ClN3O.C20H19N3O3.C19H18ClFN4O.C19H18ClN3O.C17H19N5O/c1-15(27)12-21-24-19-13-16(22(28)25-10-3-2-4-11-25)8-9-20(19)26(21)18-7-5-6-17(23)14-18;1-14-22-18-12-15(20(25)23-10-3-2-4-11-23)8-9-19(18)24(14)17-7-5-6-16(21)13-17;24-20(22-8-2-1-3-9-22)14-4-6-17-16(10-14)21-12-23(17)15-5-7-18-19(11-15)26-13-25-18;1-12-2-3-14(10-22-12)25-9-6-15-17(20)16(11-23-18(15)25)19(26)24-7-4-13(21)5-8-24;20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-12-15(11-19-20)22-8-5-13-9-14(10-18-16(13)22)17(23)21-6-3-2-4-7-21/h5-9,13-14H,2-4,10-12H2,1H3;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;2-3,6,9-11,13H,4-5,7-8H2,1H3;4-7,10-13H,1-3,8-9H2;5,8-12H,2-4,6-7H2,1H3
InChIKeyUZSGHLIDMNPXCG-UHFFFAOYSA-N
XLogP23.05
TPSA294.50 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002121.16
LogP ≤ 523.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

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
6-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine;2-(4-chlorophenyl)-1-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone;(3-chlorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone;1-[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]ethanone;[4-[3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]-phenylmethanone;6-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 160109334
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;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-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;methane
CID 162108185
[3-Chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 165003704
[3-Chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 165033011
[3-Chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 165083918
[3-Chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(5-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-chloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone;(3,4-dichloro-1-pyrazin-2-ylpyrrolo[2,3-b]pyridin-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 167547748
[3-Chloro-1-(5-chloro-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(2,2-difluoro-1,3-benzodioxol-5-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[3-chloro-1-(3-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 167703349
6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-ethyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyridin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;6-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]-2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one;N,N-dimethyl-2-[2-methyl-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-5-oxo-4H-pyrazolo[4,3-b]pyridin-6-yl]-3H-benzimidazole-5-carboxamide;6-(6-methoxy-1H-benzimidazol-2-yl)-2-methyl-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-pyrazolo[4,3-b]pyridin-5-one
CID 158466575
N,10-dimethyl-4-(4-methyl-1,4-diazepan-1-yl)benzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-ethylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-10-fluoro-N-methylbenzimidazolo[1,2-a][1,8]naphthyridine-6-carboxamide;N-methyl-16-(4-methyl-1,4-diazepan-1-yl)-5,7-dioxa-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.015,20]icosa-2,4(8),9,11,13,15,17,19-octaene-13-carboxamide
CID 158681475
N-[5-(6-chloro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]-2-fluoro-6-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide;1-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenylurea;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(piperidin-1-ylmethyl)cyclopenta-1,3-diene-1-carboxamide
CID 158839068
(4R)-5-(6-chloroimidazo[1,2-a]pyridin-8-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4R)-5-(6-chloro-1H-indazol-4-yl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4R)-4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one;(4R)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(7-methyl-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 159013400

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 165080318) is [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is CC(=O)Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cc1ccc(-n2ccc3c(Cl)c(C(=O)N4CCC(F)CC4)cnc32)cn1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is UZSGHLIDMNPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2.C20H20ClN3O.C20H19N3O3.C19H18ClFN4O.C19H18ClN3O.C17H19N5O/c1-15(27)12-21-24-19-13-16(22(28)25-10-3-2-4-11-25)8-9-20(19)26(21)18-7-5-6-17(23)14-18;1-14-22-18-12-15(20(25)23-10-3-2-4-11-23)8-9-19(18)24(14)17-7-5-6-16(21)13-17;24-20(22-8-2-1-3-9-22)14-4-6-17-16(10-14)21-12-23(17)15-5-7-18-19(11-15)26-13-25-18;1-12-2-3-14(10-22-12)25-9-6-15-17(20)16(11-23-18(15)25)19(26)24-7-4-13(21)5-8-24;20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-12-15(11-19-20)22-8-5-13-9-14(10-18-16(13)22)17(23)21-6-3-2-4-7-21/h5-9,13-14H,2-4,10-12H2,1H3;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;2-3,6,9-11,13H,4-5,7-8H2,1H3;4-7,10-13H,1-3,8-9H2;5,8-12H,2-4,6-7H2,1H3.
What are the key properties of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 2121.16 g/mol, XLogP of 23.05, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[4-chloro-1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-fluoropiperidin-1-yl)methanone;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)-2-methylbenzimidazol-5-yl]-piperidin-1-ylmethanone;1-[1-(3-chlorophenyl)-5-(piperidine-1-carbonyl)benzimidazol-2-yl]propan-2-one;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 165080318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).