[1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

C120H126N22O10 — CID 164993808

IUPAC[1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.NC(=O)c1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.NCc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.NCc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cccc(CO)c2)c1)N1CCCCC1
InChIInChI=1S/2C20H20N4O2.2C20H22N4O.2C20H21N3O2/c21-18(25)14-4-6-17(7-5-14)24-11-8-15-12-16(13-22-19(15)24)20(26)23-9-2-1-3-10-23;21-18(25)14-5-4-6-17(12-14)24-10-7-15-11-16(13-22-19(15)24)20(26)23-8-2-1-3-9-23;21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23;21-13-15-5-4-6-18(11-15)24-10-7-16-12-17(14-22-19(16)24)20(25)23-8-2-1-3-9-23;24-14-15-4-6-18(7-5-15)23-11-8-16-12-17(13-21-19(16)23)20(25)22-9-2-1-3-10-22;24-14-15-5-4-6-18(11-15)23-10-7-16-12-17(13-21-19(16)23)20(25)22-8-2-1-3-9-22/h4-8,11-13H,1-3,9-10H2,(H2,21,25);4-7,10-13H,1-3,8-9H2,(H2,21,25);4-8,11-12,14H,1-3,9-10,13,21H2;4-7,10-12,14H,1-3,8-9,13,21H2;4-8,11-13,24H,1-3,9-10,14H2;4-7,10-13,24H,1-3,8-9,14H2
InChIKeyHGHDOTBTTTXXAO-UHFFFAOYSA-N
MW2036.47 g/mol
LogP18.01
Rot. Bonds18

About [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

[1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (PubChem CID 164993808) has the molecular formula C120H126N22O10 and a molecular weight of 2036.47 g/mol. Its IUPAC name is [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name[1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
PubChem CID164993808
Molecular FormulaC120H126N22O10
Molecular Weight2036.47 g/mol
Exact Mass2035.00
IUPAC Name[1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.NC(=O)c1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.NCc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.NCc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cccc(CO)c2)c1)N1CCCCC1
InChIInChI=1S/2C20H20N4O2.2C20H22N4O.2C20H21N3O2/c21-18(25)14-4-6-17(7-5-14)24-11-8-15-12-16(13-22-19(15)24)20(26)23-9-2-1-3-10-23;21-18(25)14-5-4-6-17(12-14)24-10-7-15-11-16(13-22-19(15)24)20(26)23-8-2-1-3-9-23;21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23;21-13-15-5-4-6-18(11-15)24-10-7-16-12-17(14-22-19(16)24)20(25)23-8-2-1-3-9-23;24-14-15-4-6-18(7-5-15)23-11-8-16-12-17(13-21-19(16)23)20(25)22-9-2-1-3-10-22;24-14-15-5-4-6-18(11-15)23-10-7-16-12-17(13-21-19(16)23)20(25)22-8-2-1-3-9-22/h4-8,11-13H,1-3,9-10H2,(H2,21,25);4-7,10-13H,1-3,8-9H2,(H2,21,25);4-8,11-12,14H,1-3,9-10,13,21H2;4-7,10-12,14H,1-3,8-9,13,21H2;4-8,11-13,24H,1-3,9-10,14H2;4-7,10-13,24H,1-3,8-9,14H2
InChIKeyHGHDOTBTTTXXAO-UHFFFAOYSA-N
XLogP18.01
TPSA407.46 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.47
LogP ≤ 518.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide with MolForge

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Related Compounds

N-[4-(aminomethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;1-[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]ethanone;[4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]phenyl]methanol;1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethanol;[3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 158844509
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;2-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-5-methyl-N-(4-methylphenyl)pyridine-4-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(5-fluoro-3-pyridinyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 161881478
3-[[1-[(1R,2R)-5,5-difluoro-2-phenylcyclohexanecarbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one;3-[[1-[(1R,2R)-5,5-difluoro-2-phenylcyclohexanecarbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one;3-[[1-[(1R,2R)-4-fluoro-4-methyl-2-phenylcyclohexanecarbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-one;3-[[4-hydroxy-1-[(2R,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one;3-[[4-hydroxy-1-[(1R,2R)-2-pyrrol-1-ylcyclohexanecarbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 164962882
[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-[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
3,3-dimethyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[(5-piperazin-1-yl-2-pyridinyl)amino]-2H-isoindol-1-one;7-[[5-(4-hydroxy-1-methylpiperidin-4-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[[5-(1-methyl-2-oxopiperidin-4-yl)-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one
CID 157191120
1-[1-[butyl(pentyl)amino]ethyl]indole-4-carboxylic acid;N-butyl-N-pentyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;1H-indole-4-carboxylic acid;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157580975
3-[(5-benzoyl-7H-cyclopenta[d]pyrimidin-4-yl)methyl]-N-(3-piperidin-1-ylpropyl)benzamide;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-imidazol-1-ylpropan-2-one;1-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-4-pyridin-3-ylbutan-2-one;tert-butyl 2-[4-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetate;tert-butyl 3-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]propanoate;[4-[3-(hydroxymethyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 157590823
1-[butyl(pentyl)carbamoyl]indole-4-carboxylic acid;N-butyl-N-pentyl-4-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)indole-1-carboxamide;1H-indole-4-carboxylic acid;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 157692812
7-[[6-(aminomethyl)-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one;4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-7-[[6-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5-[(3S)-oxolan-3-yl]-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 158133112
Tert-butyl 2,8-diazaspiro[4.5]decane-2-carboxylate;tert-butyl 8-[1-[(4-methoxycarbonylphenyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate;methanol;methyl 4-[[5-(2,8-diazaspiro[4.5]decan-8-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate;bis(methyl 4-[[5-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]pyrrolo[2,3-b]pyridin-1-yl]methyl]benzoate);pyridine-3-carbaldehyde
CID 158228296

Frequently Asked Questions

What is the IUPAC name of [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The IUPAC name of [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (CID 164993808) is [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.
What is the SMILES notation for [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The canonical SMILES for [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is NC(=O)c1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.NC(=O)c1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.NCc1ccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)cc1.NCc1cccc(-n2ccc3cc(C(=O)N4CCCCC4)cnc32)c1.O=C(c1cnc2c(ccn2-c2ccc(CO)cc2)c1)N1CCCCC1.O=C(c1cnc2c(ccn2-c2cccc(CO)c2)c1)N1CCCCC1.
What is the InChIKey of [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The InChIKey is HGHDOTBTTTXXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N4O2.2C20H22N4O.2C20H21N3O2/c21-18(25)14-4-6-17(7-5-14)24-11-8-15-12-16(13-22-19(15)24)20(26)23-9-2-1-3-10-23;21-18(25)14-5-4-6-17(12-14)24-10-7-15-11-16(13-22-19(15)24)20(26)23-8-2-1-3-9-23;21-13-15-4-6-18(7-5-15)24-11-8-16-12-17(14-22-19(16)24)20(25)23-9-2-1-3-10-23;21-13-15-5-4-6-18(11-15)24-10-7-16-12-17(14-22-19(16)24)20(25)23-8-2-1-3-9-23;24-14-15-4-6-18(7-5-15)23-11-8-16-12-17(13-21-19(16)23)20(25)22-9-2-1-3-10-22;24-14-15-5-4-6-18(11-15)23-10-7-16-12-17(13-21-19(16)23)20(25)22-8-2-1-3-9-22/h4-8,11-13H,1-3,9-10H2,(H2,21,25);4-7,10-13H,1-3,8-9H2,(H2,21,25);4-8,11-12,14H,1-3,9-10,13,21H2;4-7,10-12,14H,1-3,8-9,13,21H2;4-8,11-13,24H,1-3,9-10,14H2;4-7,10-13,24H,1-3,8-9,14H2.
What are the key properties of [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
[1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide has a molecular weight of 2036.47 g/mol, XLogP of 18.01, 18 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[3-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;[1-[4-(hydroxymethyl)phenyl]pyrrolo[2,3-b]pyridin-5-yl]-piperidin-1-ylmethanone;3-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide;4-[5-(piperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 164993808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).