[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone

C137H136Cl5N23O10 — CID 165084486

IUPAC[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)CC1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)c(Cl)cn2-c1cccc(Cl)c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1
InChIInChI=1S/C22H22ClN3O2.C20H18Cl2N2O.C20H20ClN3O.C20H19N3O3.C19H18ClN3O.C19H20N4O.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;21-15-5-4-6-16(12-15)24-13-18(22)17-11-14(7-8-19(17)24)20(25)23-9-2-1-3-10-23;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;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;1-14-4-8-22(9-5-14)19(24)16-11-15-6-10-23(18(15)21-12-16)17-3-2-7-20-13-17;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;4-8,11-13H,1-3,9-10H2;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;4-7,10-13H,1-3,8-9H2;2-3,6-7,10-14H,4-5,8-9H2,1H3;5,8-12H,2-4,6-7H2,1H3
InChIKeyVQTUAUOQPUFEEQ-UHFFFAOYSA-N
MW2442.01 g/mol
LogP27.95
Rot. Bonds16

About [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (PubChem CID 165084486) has the molecular formula C137H136Cl5N23O10 and a molecular weight of 2442.01 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
PubChem CID165084486
Molecular FormulaC137H136Cl5N23O10
Molecular Weight2442.01 g/mol
Exact Mass2437.93
IUPAC Name[1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)CC1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)c(Cl)cn2-c1cccc(Cl)c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1ccc2c(c1)OCO2)N1CCCCC1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1
InChIInChI=1S/C22H22ClN3O2.C20H18Cl2N2O.C20H20ClN3O.C20H19N3O3.C19H18ClN3O.C19H20N4O.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;21-15-5-4-6-16(12-15)24-13-18(22)17-11-14(7-8-19(17)24)20(25)23-9-2-1-3-10-23;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;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;1-14-4-8-22(9-5-14)19(24)16-11-15-6-10-23(18(15)21-12-16)17-3-2-7-20-13-17;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;4-8,11-13H,1-3,9-10H2;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;4-7,10-13H,1-3,8-9H2;2-3,6-7,10-14H,4-5,8-9H2,1H3;5,8-12H,2-4,6-7H2,1H3
InChIKeyVQTUAUOQPUFEEQ-UHFFFAOYSA-N
XLogP27.95
TPSA319.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002442.01
LogP ≤ 527.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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-(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
(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
(4S)-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;(4S)-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;(4S)-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;(4S)-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 159013401
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;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;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;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 159013402
2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrimidine;1,3-dimethyl-6-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;1,2-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1,3-dimethyl-6-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]-6-propan-2-ylbenzimidazole;1-methyl-5-(5-propan-2-ylpyridazin-3-yl)indazole;2-propan-2-yl-2,7-naphthyridin-1-one;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 160341519
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;sulfane
CID 161598067
1-[4-[4-(4-Chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzotriazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 163458444
1-[4-[4-(4-Chloro-5-methylindazol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[4-(4-chloro-5-methylindol-1-yl)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylbenzimidazol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(5-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one;1-[4-[7-methoxy-4-(6-methylindol-1-yl)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 164165414
[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-(5-chloro-3-pyridinyl)indazol-5-yl]-(4-methylpiperidin-1-yl)methanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;[4-methyl-1-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
CID 164992248
[1-(3-Chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone;1-(3-chlorophenyl)-5-[1-(3,3-dimethylcyclobutyl)ethenyl]benzimidazole;[2-ethyl-3-(4-methoxyphenyl)imidazo[4,5-b]pyridin-6-yl]-(4-methylpiperidin-1-yl)methanone;[1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;(4-methylpiperidin-1-yl)-(3-methyl-1-pyrazin-2-ylindol-5-yl)methanone
CID 165011167

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone (CID 165084486) is [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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.CC1CCN(C(=O)c2cnc3c(ccn3-c3cccnc3)c2)CC1.Cc1nc2cc(C(=O)N3CCCCC3)ccc2n1-c1cccc(Cl)c1.Cn1cc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.O=C(c1ccc2c(c1)c(Cl)cn2-c1cccc(Cl)c1)N1CCCCC1.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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone?
The InChIKey is VQTUAUOQPUFEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2.C20H18Cl2N2O.C20H20ClN3O.C20H19N3O3.C19H18ClN3O.C19H20N4O.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;21-15-5-4-6-16(12-15)24-13-18(22)17-11-14(7-8-19(17)24)20(25)23-9-2-1-3-10-23;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;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;1-14-4-8-22(9-5-14)19(24)16-11-15-6-10-23(18(15)21-12-16)17-3-2-7-20-13-17;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;4-8,11-13H,1-3,9-10H2;5-9,12-13H,2-4,10-11H2,1H3;4-7,10-12H,1-3,8-9,13H2;4-7,10-13H,1-3,8-9H2;2-3,6-7,10-14H,4-5,8-9H2,1H3;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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[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;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone has a molecular weight of 2442.01 g/mol, XLogP of 27.95, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[3-chloro-1-(3-chlorophenyl)indol-5-yl]-piperidin-1-ylmethanone;[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;(4-methylpiperidin-1-yl)-(1-pyridin-3-ylpyrrolo[2,3-b]pyridin-5-yl)methanone;[1-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 165084486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).