[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide

C123H132N26O11 — CID 165096002

IUPAC[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CN(C)C(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.COc1ccc(-n2ccc3c(C#N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(N)c(C(=O)N4CCCCC4)cnc32)cc1.NC(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C22H25N3O2.C21H23N5O2.C21H20N4O2.C20H23N5O.C20H22N4O2.C19H19N5O2/c1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-24(2)20(27)17-11-18(14-22-12-17)26-9-6-15-10-16(13-23-19(15)26)21(28)25-7-4-3-5-8-25;1-27-16-7-5-15(6-8-16)25-12-9-17-18(13-22)19(14-23-20(17)25)21(26)24-10-3-2-4-11-24;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-26-15-7-5-14(6-8-15)24-12-9-16-18(21)17(13-22-19(16)24)20(25)23-10-3-2-4-11-23;20-17(25)14-9-16(12-21-10-14)24-7-4-13-8-15(11-22-18(13)24)19(26)23-5-2-1-3-6-23/h6-10,13-15,27H,3-5,11-12H2,1-2H3;6,9-14H,3-5,7-8H2,1-2H3;5-9,12,14H,2-4,10-11H2,1H3;6-8,11-14H,3-5,9-10H2,1-2H3;5-9,12-13H,2-4,10-11H2,1H3,(H2,21,22);4,7-12H,1-3,5-6H2,(H2,20,25)
InChIKeyXNCCVVYQHJAAAU-UHFFFAOYSA-N
MW2150.58 g/mol
LogP18.66
Rot. Bonds18

About [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide

[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide (PubChem CID 165096002) has the molecular formula C123H132N26O11 and a molecular weight of 2150.58 g/mol. Its IUPAC name is [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
PubChem CID165096002
Molecular FormulaC123H132N26O11
Molecular Weight2150.58 g/mol
Exact Mass2149.06
IUPAC Name[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CN(C)C(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.COc1ccc(-n2ccc3c(C#N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(N)c(C(=O)N4CCCCC4)cnc32)cc1.NC(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C22H25N3O2.C21H23N5O2.C21H20N4O2.C20H23N5O.C20H22N4O2.C19H19N5O2/c1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-24(2)20(27)17-11-18(14-22-12-17)26-9-6-15-10-16(13-23-19(15)26)21(28)25-7-4-3-5-8-25;1-27-16-7-5-15(6-8-16)25-12-9-17-18(13-22)19(14-23-20(17)25)21(26)24-10-3-2-4-11-24;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-26-15-7-5-14(6-8-15)24-12-9-16-18(21)17(13-22-19(16)24)20(25)23-10-3-2-4-11-23;20-17(25)14-9-16(12-21-10-14)24-7-4-13-8-15(11-22-18(13)24)19(26)23-5-2-1-3-6-23/h6-10,13-15,27H,3-5,11-12H2,1-2H3;6,9-14H,3-5,7-8H2,1-2H3;5-9,12,14H,2-4,10-11H2,1H3;6-8,11-14H,3-5,9-10H2,1-2H3;5-9,12-13H,2-4,10-11H2,1H3,(H2,21,22);4,7-12H,1-3,5-6H2,(H2,20,25)
InChIKeyXNCCVVYQHJAAAU-UHFFFAOYSA-N
XLogP18.66
TPSA422.59 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002150.58
LogP ≤ 518.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-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

N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methylindole-5-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile;6-(5-methoxy-1-methylindol-3-yl)-4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157204082
6-[(3R)-3-aminopyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-aminopyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(2-cyanopyrimidin-5-yl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 160199786
[4-(1,1-Difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone
CID 164971090
[4-(1,1-Difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone
CID 165028886
[4-(1,1-difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;(4-ethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(3-phenylazetidin-1-yl)methanone;[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-(4-phenylpiperidin-1-yl)methanone
CID 165111041
[4-(1,1-Difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 167549774
[4-(1,1-Difluoroethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;[1-[3-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[4-(1-hydroxyethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-(4-methylpiperidin-1-yl)methanone;[1-[3-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone
CID 167618465
4-cyano-N-[[4-(furan-2-yl)cyclohexyl]methyl]-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;4-cyclopropyl-N-[4-(furan-2-yl)cyclohexyl]-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)cyclohexyl]ethyl]-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[2-[4-(furan-2-yl)cyclohexyl]ethyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)cyclohexyl]methyl]-2-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-[[4-(furan-2-yl)cyclohexyl]methyl]-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 157687042
N-cyclopentyl-4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-[3-(2-imidazol-1-ylethoxy)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;morpholin-4-yl-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]methanone;3-oxo-3-[3-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidin-1-yl]propanenitrile;1-[3-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperidin-1-yl]ethanone
CID 157837840
N-cyclopentyl-4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]benzamide;N-[3-(2-imidazol-1-ylethoxy)phenyl]-7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-amine;morpholin-4-yl-[4-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]methanone;7-pentan-3-yl-N-(4-piperidin-3-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine;N-[3-[(7-pentan-3-ylpyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]pyridine-4-carboxamide
CID 157929009
4-[8-[4-[4-(2-methoxyphenyl)piperidine-1-carbonyl]anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;4-[8-[4-(4-phenylpiperidine-1-carbonyl)anilino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;5-[8-(4-pyridin-3-ylanilino)imidazo[1,2-a]pyridin-5-yl]-2,3,3a,7a-tetrahydroisoindol-1-one
CID 158177612
1-[2-[4-[(4-Acetylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-(4-methoxyanilino)pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-[2-(4-methylpiperazin-1-yl)ethoxy]anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]indole-3-carboxamide;1-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 158532513

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
The IUPAC name of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide (CID 165096002) is [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide is CC(C)(O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.CN(C)C(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.CN(C)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cn1.COc1ccc(-n2ccc3c(C#N)c(C(=O)N4CCCCC4)cnc32)cc1.COc1ccc(-n2ccc3c(N)c(C(=O)N4CCCCC4)cnc32)cc1.NC(=O)c1cncc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
The InChIKey is XNCCVVYQHJAAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C21H23N5O2.C21H20N4O2.C20H23N5O.C20H22N4O2.C19H19N5O2/c1-22(2,27)18-6-8-19(9-7-18)25-13-10-16-14-17(15-23-20(16)25)21(26)24-11-4-3-5-12-24;1-24(2)20(27)17-11-18(14-22-12-17)26-9-6-15-10-16(13-23-19(15)26)21(28)25-7-4-3-5-8-25;1-27-16-7-5-15(6-8-16)25-12-9-17-18(13-22)19(14-23-20(17)25)21(26)24-10-3-2-4-11-24;1-23(2)18-7-6-17(14-21-18)25-11-8-15-12-16(13-22-19(15)25)20(26)24-9-4-3-5-10-24;1-26-15-7-5-14(6-8-15)24-12-9-16-18(21)17(13-22-19(16)24)20(25)23-10-3-2-4-11-23;20-17(25)14-9-16(12-21-10-14)24-7-4-13-8-15(11-22-18(13)24)19(26)23-5-2-1-3-6-23/h6-10,13-15,27H,3-5,11-12H2,1-2H3;6,9-14H,3-5,7-8H2,1-2H3;5-9,12,14H,2-4,10-11H2,1H3;6-8,11-14H,3-5,9-10H2,1-2H3;5-9,12-13H,2-4,10-11H2,1H3,(H2,21,22);4,7-12H,1-3,5-6H2,(H2,20,25).
What are the key properties of [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide?
[4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide has a molecular weight of 2150.58 g/mol, XLogP of 18.66, 18 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[6-(dimethylamino)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;N,N-dimethyl-5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide;[1-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;1-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridine-4-carbonitrile;5-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 165096002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).