4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C113H130Cl7N21O8 — CID 157098742

IUPAC4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)cn3CCCN3CCCC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)cn3CCNC3CCOCC3)c2Cl)cc1.Cc1cn(CCCN2CCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1cn(CCNC2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12
InChIInChI=1S/C23H28ClN5O2.C23H27ClN4O2.C23H27ClN4O.C22H24Cl2N4O2.C22H24Cl2N4O/c1-15(2)17-4-6-18(7-5-17)26-23(30)19-14-25-22-20(21(19)24)16(3)27-29(22)9-8-28-10-12-31-13-11-28;1-15-3-5-18(6-4-15)27-23(29)19-13-26-22-20(21(19)24)16(2)14-28(22)10-9-25-17-7-11-30-12-8-17;1-16-6-8-18(9-7-16)26-23(29)19-14-25-22-20(21(19)24)17(2)15-28(22)13-5-12-27-10-3-4-11-27;1-14-13-28(9-8-25-16-6-10-30-11-7-16)21-19(14)20(24)18(12-26-21)22(29)27-17-4-2-15(23)3-5-17;1-15-14-28(12-4-11-27-9-2-3-10-27)21-19(15)20(24)18(13-25-21)22(29)26-17-7-5-16(23)6-8-17/h4-7,14-15H,8-13H2,1-3H3,(H,26,30);3-6,13-14,17,25H,7-12H2,1-2H3,(H,27,29);6-9,14-15H,3-5,10-13H2,1-2H3,(H,26,29);2-5,12-13,16,25H,6-11H2,1H3,(H,27,29);5-8,13-14H,2-4,9-12H2,1H3,(H,26,29)
InChIKeyAFMZUVFJVCCJMK-UHFFFAOYSA-N
MW2158.59 g/mol
LogP23.54
Rot. Bonds30

About 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 157098742) has the molecular formula C113H130Cl7N21O8 and a molecular weight of 2158.59 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID157098742
Molecular FormulaC113H130Cl7N21O8
Molecular Weight2158.59 g/mol
Exact Mass2153.82
IUPAC Name4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)cn3CCCN3CCCC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)cn3CCNC3CCOCC3)c2Cl)cc1.Cc1cn(CCCN2CCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1cn(CCNC2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12
InChIInChI=1S/C23H28ClN5O2.C23H27ClN4O2.C23H27ClN4O.C22H24Cl2N4O2.C22H24Cl2N4O/c1-15(2)17-4-6-18(7-5-17)26-23(30)19-14-25-22-20(21(19)24)16(3)27-29(22)9-8-28-10-12-31-13-11-28;1-15-3-5-18(6-4-15)27-23(29)19-13-26-22-20(21(19)24)16(2)14-28(22)10-9-25-17-7-11-30-12-8-17;1-16-6-8-18(9-7-16)26-23(29)19-14-25-22-20(21(19)24)17(2)15-28(22)13-5-12-27-10-3-4-11-27;1-14-13-28(9-8-25-16-6-10-30-11-7-16)21-19(14)20(24)18(12-26-21)22(29)27-17-4-2-15(23)3-5-17;1-15-14-28(12-4-11-27-9-2-3-10-27)21-19(15)20(24)18(13-25-21)22(29)26-17-7-5-16(23)6-8-17/h4-7,14-15H,8-13H2,1-3H3,(H,26,30);3-6,13-14,17,25H,7-12H2,1-2H3,(H,27,29);6-9,14-15H,3-5,10-13H2,1-2H3,(H,26,29);2-5,12-13,16,25H,6-11H2,1H3,(H,27,29);5-8,13-14H,2-4,9-12H2,1H3,(H,26,29)
InChIKeyAFMZUVFJVCCJMK-UHFFFAOYSA-N
XLogP23.54
TPSA308.96 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.59
LogP ≤ 523.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Analyze 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide 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

4-chloro-N-(4-chlorophenyl)-3-cyclopropyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-ethyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-phenyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-ethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methylphenyl)-1-phenyl-3-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 157189183
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157390910
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopentyl-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-cyclopentyl-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(oxan-4-yl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;N-(4-chlorophenyl)-4-methoxy-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157400982
4-chloro-N-(4-chlorophenyl)-1-(1-ethylpiperidin-4-yl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1-ethylpiperidin-4-yl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(1-methylpiperidin-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157559543
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-cyclohexylbenzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157644056
2-[(2S)-1-[5-chloro-2-(dimethylsulfamoylamino)benzoyl]piperidin-2-yl]-6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine;N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]benzamide;N-[4-chloro-2-[(2S)-2-[7-methyl-5-[methyl(propyl)amino]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;2,2,2-trifluoroethyl N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]carbamate
CID 157841352
4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;4-[[5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(piperidin-4-ylmethyl)benzamide;N,N-dimethyl-4-[[5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158893800
N-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-2,2-difluoroacetamide;3-[4-chloro-2-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]-1,1-dimethylurea;(4,6-dimethyl-2-pyridinyl)-[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[6-methyl-5-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[6-(trifluoromethyl)-2-pyridinyl]methanone
CID 159361405
4-chloro-N-(4-chlorophenyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-pyrazol-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(4H-pyrazol-3-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159413614
N-(2-amino-2-methylpropyl)-4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide;4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[(1-methylpiperidin-4-yl)methyl]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159433689
4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-diethylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propan-2-ylpyridine-2-carboxamide;4-[5-[(Z)-5-amino-3-imino-4-methyl-2-oxohex-4-enyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-propylpyridine-2-carboxamide;1-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;1-[5-chloro-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4-[5-[2-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxoethyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2-carboxamide;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
CID 159545691
4-chloro-N-(4-chlorophenyl)-1-(2-methoxyethyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-1-(3-methoxypropyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(2-methoxyethyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-1-(3-methoxypropyl)-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(3-methoxypropyl)-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 159613139

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 157098742) is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)cn3CCCN3CCCC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)cn3CCNC3CCOCC3)c2Cl)cc1.Cc1cn(CCCN2CCCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1cn(CCNC2CCOCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCOCC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is AFMZUVFJVCCJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2.C23H27ClN4O2.C23H27ClN4O.C22H24Cl2N4O2.C22H24Cl2N4O/c1-15(2)17-4-6-18(7-5-17)26-23(30)19-14-25-22-20(21(19)24)16(3)27-29(22)9-8-28-10-12-31-13-11-28;1-15-3-5-18(6-4-15)27-23(29)19-13-26-22-20(21(19)24)16(2)14-28(22)10-9-25-17-7-11-30-12-8-17;1-16-6-8-18(9-7-16)26-23(29)19-14-25-22-20(21(19)24)17(2)15-28(22)13-5-12-27-10-3-4-11-27;1-14-13-28(9-8-25-16-6-10-30-11-7-16)21-19(14)20(24)18(12-26-21)22(29)27-17-4-2-15(23)3-5-17;1-15-14-28(12-4-11-27-9-2-3-10-27)21-19(15)20(24)18(13-25-21)22(29)26-17-7-5-16(23)6-8-17/h4-7,14-15H,8-13H2,1-3H3,(H,26,30);3-6,13-14,17,25H,7-12H2,1-2H3,(H,27,29);6-9,14-15H,3-5,10-13H2,1-2H3,(H,26,29);2-5,12-13,16,25H,6-11H2,1H3,(H,27,29);5-8,13-14H,2-4,9-12H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2158.59 g/mol, XLogP of 23.54, 30 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(oxan-4-ylamino)ethyl]pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(3-pyrrolidin-1-ylpropyl)pyrrolo[2,3-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-(2-morpholin-4-ylethyl)-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157098742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).