1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

C100H99Cl5N20O4 — CID 158435258

IUPAC1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)cn3Cc3cnc[nH]3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(cnn3C3CCN(Cc4ccccc4)CC3)c2Cl)cc1.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCN(Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C29H32ClN5O.C26H26ClN5O.C25H23Cl2N5O.C20H18ClN5O/c1-19(2)22-9-11-23(12-10-22)32-29(36)25-17-31-28-26(27(25)30)20(3)33-35(28)24-13-15-34(16-14-24)18-21-7-5-4-6-8-21;1-18-7-9-20(10-8-18)30-26(33)23-15-28-25-22(24(23)27)16-29-32(25)21-11-13-31(14-12-21)17-19-5-3-2-4-6-19;26-18-6-8-19(9-7-18)30-25(33)22-14-28-24-21(23(22)27)15-29-32(24)20-10-12-31(13-11-20)16-17-4-2-1-3-5-17;1-12-3-5-14(6-4-12)25-20(27)16-8-23-19-17(18(16)21)13(2)9-26(19)10-15-7-22-11-24-15/h4-12,17,19,24H,13-16,18H2,1-3H3,(H,32,36);2-10,15-16,21H,11-14,17H2,1H3,(H,30,33);1-9,14-15,20H,10-13,16H2,(H,30,33);3-9,11H,10H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyHCDMTPXRMKGCCM-UHFFFAOYSA-N
MW1822.29 g/mol
LogP22.25
Rot. Bonds20

About 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide

1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 158435258) has the molecular formula C100H99Cl5N20O4 and a molecular weight of 1822.29 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID158435258
Molecular FormulaC100H99Cl5N20O4
Molecular Weight1822.29 g/mol
Exact Mass1818.66
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)cn3Cc3cnc[nH]3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(cnn3C3CCN(Cc4ccccc4)CC3)c2Cl)cc1.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCN(Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C29H32ClN5O.C26H26ClN5O.C25H23Cl2N5O.C20H18ClN5O/c1-19(2)22-9-11-23(12-10-22)32-29(36)25-17-31-28-26(27(25)30)20(3)33-35(28)24-13-15-34(16-14-24)18-21-7-5-4-6-8-21;1-18-7-9-20(10-8-18)30-26(33)23-15-28-25-22(24(23)27)16-29-32(25)21-11-13-31(14-12-21)17-19-5-3-2-4-6-19;26-18-6-8-19(9-7-18)30-25(33)22-14-28-24-21(23(22)27)15-29-32(24)20-10-12-31(13-11-20)16-17-4-2-1-3-5-17;1-12-3-5-14(6-4-12)25-20(27)16-8-23-19-17(18(16)21)13(2)9-26(19)10-15-7-22-11-24-15/h4-12,17,19,24H,13-16,18H2,1-3H3,(H,32,36);2-10,15-16,21H,11-14,17H2,1H3,(H,30,33);1-9,14-15,20H,10-13,16H2,(H,30,33);3-9,11H,10H2,1-2H3,(H,22,24)(H,25,27)
InChIKeyHCDMTPXRMKGCCM-UHFFFAOYSA-N
XLogP22.25
TPSA264.75 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001822.29
LogP ≤ 522.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

5-[3-[(5-butyl-1H-pyrazol-3-yl)amino]-1,2,4-triazin-5-yl]-1,2-dihydroindazol-3-one;4-chloro-5-[3-[2-(dimethylamino)ethylamino]-6-(1H-indazol-3-ylamino)pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyridazin-4-yl]-1,2-dihydroindazol-3-one;5-[6-(1H-indazol-3-ylamino)-3-(2-piperidin-1-ylethylamino)pyridazin-4-yl]-4-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 157096457
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylisoindol-2-yl)pentan-2-one;3-[2-[(2R)-5-[6-(aminomethyl)-1H-indol-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[2-(5,6-dimethylbenzimidazol-1-yl)butanoylamino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-7-methyl-4-oxo-5-[3-(trifluoromethyl)pyrazol-1-yl]octan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157158955
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5,6-difluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazol-5-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-methyl-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157188127
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
(3S,4R)-1-[2-[(2S)-1-(3,6-dichloropyridine-2-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(2,4-difluorobenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(3,4-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(4,5-difluoro-2-methylbenzoyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-1-[2-[(2S)-1-(1H-indole-7-carbonyl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]-4-methylpyrrolidine-3-carbonitrile;(3S,4R)-4-methyl-1-[6-methyl-2-[(2S)-1-[6-(trifluoromethyl)pyridine-2-carbonyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carbonitrile
CID 157212630
1-[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-2-phenylethanone;[(2S)-4-[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carbonyl]-2-methylpiperazin-1-yl]-phenylmethanone;[6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-2-yl]-[(3S)-4-(1H-imidazole-2-carbonyl)-3-methylpiperazin-1-yl]methanone
CID 157328934
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
(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157421955
2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 157447320
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
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 157763554
4-[8-tert-butyl-6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;5-[4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazine-1-carbonyl]-1H-pyridazin-6-one;4-[6-(4-chloro-3-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;4-[6-(4-chlorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one;[4-[8-(1,1-difluoroethyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 157874439

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide (CID 158435258) is 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)cn3Cc3cnc[nH]3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(cnn3C3CCN(Cc4ccccc4)CC3)c2Cl)cc1.Cc1nn(C2CCN(Cc3ccccc3)CC2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12.O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCN(Cc3ccccc3)CC2)c1Cl.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HCDMTPXRMKGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN5O.C26H26ClN5O.C25H23Cl2N5O.C20H18ClN5O/c1-19(2)22-9-11-23(12-10-22)32-29(36)25-17-31-28-26(27(25)30)20(3)33-35(28)24-13-15-34(16-14-24)18-21-7-5-4-6-8-21;1-18-7-9-20(10-8-18)30-26(33)23-15-28-25-22(24(23)27)16-29-32(25)21-11-13-31(14-12-21)17-19-5-3-2-4-6-19;26-18-6-8-19(9-7-18)30-25(33)22-14-28-24-21(23(22)27)15-29-32(24)20-10-12-31(13-11-20)16-17-4-2-1-3-5-17;1-12-3-5-14(6-4-12)25-20(27)16-8-23-19-17(18(16)21)13(2)9-26(19)10-15-7-22-11-24-15/h4-12,17,19,24H,13-16,18H2,1-3H3,(H,32,36);2-10,15-16,21H,11-14,17H2,1H3,(H,30,33);1-9,14-15,20H,10-13,16H2,(H,30,33);3-9,11H,10H2,1-2H3,(H,22,24)(H,25,27).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide?
1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 1822.29 g/mol, XLogP of 22.25, 20 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;1-(1-benzylpiperidin-4-yl)-4-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(1H-imidazol-5-ylmethyl)-3-methyl-N-(4-methylphenyl)pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 158435258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).