2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide

C63H74N8O3 — CID 161004787

IUPAC2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide
SMILESCc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCC1
InChIInChI=1S/C32H38N4O.C31H36N4O2/c1-24-15-17-26(18-16-24)30-23-36(31-29(30)14-9-20-34-31)21-8-2-3-13-28(25-10-4-5-11-25)32(37)35-22-27-12-6-7-19-33-27;36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-1-2-12-27(23-9-3-4-10-23)31(37)34-21-25-11-5-6-18-32-25/h6-7,9,12,14-20,23,25,28H,2-5,8,10-11,13,21-22H2,1H3,(H,35,37);5-6,8,11,13-19,22-23,27,36H,1-4,7,9-10,12,20-21H2,(H,34,37)
InChIKeyTWIZLTZFGMEBIL-UHFFFAOYSA-N
MW991.34 g/mol
LogP13.58
Rot. Bonds22

About 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide

2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide (PubChem CID 161004787) has the molecular formula C63H74N8O3 and a molecular weight of 991.34 g/mol. Its IUPAC name is 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide.

Molecular Properties

Compound Name2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide
PubChem CID161004787
Molecular FormulaC63H74N8O3
Molecular Weight991.34 g/mol
Exact Mass990.59
IUPAC Name2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide
SMILESCc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCC1
InChIInChI=1S/C32H38N4O.C31H36N4O2/c1-24-15-17-26(18-16-24)30-23-36(31-29(30)14-9-20-34-31)21-8-2-3-13-28(25-10-4-5-11-25)32(37)35-22-27-12-6-7-19-33-27;36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-1-2-12-27(23-9-3-4-10-23)31(37)34-21-25-11-5-6-18-32-25/h6-7,9,12,14-20,23,25,28H,2-5,8,10-11,13,21-22H2,1H3,(H,35,37);5-6,8,11,13-19,22-23,27,36H,1-4,7,9-10,12,20-21H2,(H,34,37)
InChIKeyTWIZLTZFGMEBIL-UHFFFAOYSA-N
XLogP13.58
TPSA139.85 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.34
LogP ≤ 513.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide with MolForge

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Related Compounds

US10780092, Example 85-B
CID 132145419
US10780092, Example 58-B
CID 132155977
(2S)-2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide
CID 12968341
2-amino-N-[2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-yl]-3-(4-hydroxyphenyl)propanamide
CID 18175229
N-[(1E,3E)-1-amino-2-[3-[4-(3-fluoro-5-hydroxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl]-6-methylhepta-1,3,5-trien-4-yl]-2-phenylacetamide
CID 145247393
4-[4-amino-7-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-6-methylpyrrolo[2,3-d]pyrimidin-5-yl]-N-(4-propyl-2-pyridinyl)benzamide;(E)-1-[(3R)-3-[4-amino-6-methyl-5-[4-[[4-(trifluoromethyl)-2-pyridinyl]amino]oxyphenyl]pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-1-yl]-4-[cyclopropyl(methyl)amino]but-2-en-1-one;methane
CID 159845589
N-[1-[1-[[4-fluoro-1-[4-[1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]benzoyl]piperidin-4-yl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-3-formamidopropanamide
CID 176561936
N-[3-cyclopropyl-1-[1-[[4-fluoro-1-[4-[(4R)-4-methyl-1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]benzoyl]piperidin-4-yl]methyl]piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-3-formamidopropanamide
CID 176562632
N-[1-[[4-[2-(2-amino-3-pyridinyl)-6-(5-fluoro-2-pyridinyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-4-hydroxy-3-methylbenzamide
CID 177316123
1-[2-[6-[2-(4-Hydroxyphenyl)ethylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117091294
US20250340551, Example 1k50
CID 177353515
[4-[[4-[3-cyclopropyl-5-(methylamino)pyrrolo[2,3-b]pyridin-1-yl]piperidin-1-yl]methyl]-4-fluoropiperidin-1-yl]-[4-[1-[(3Z)-1,1,4-triamino-4-(2-hydroxyphenyl)buta-1,3-dien-2-yl]piperidin-3-yl]phenyl]methanone
CID 176561809

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide?
The IUPAC name of 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide (CID 161004787) is 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide.
What is the SMILES notation for 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide?
The canonical SMILES for 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide is Cc1ccc(-c2cn(CCCCCC(C(=O)NCc3ccccn3)C3CCCC3)c3ncccc23)cc1.O=C(NCc1ccccn1)C(CCCCCn1cc(-c2ccc(O)cc2)c2cccnc21)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide?
The InChIKey is TWIZLTZFGMEBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O.C31H36N4O2/c1-24-15-17-26(18-16-24)30-23-36(31-29(30)14-9-20-34-31)21-8-2-3-13-28(25-10-4-5-11-25)32(37)35-22-27-12-6-7-19-33-27;36-26-16-14-24(15-17-26)29-22-35(30-28(29)13-8-19-33-30)20-7-1-2-12-27(23-9-3-4-10-23)31(37)34-21-25-11-5-6-18-32-25/h6-7,9,12,14-20,23,25,28H,2-5,8,10-11,13,21-22H2,1H3,(H,35,37);5-6,8,11,13-19,22-23,27,36H,1-4,7,9-10,12,20-21H2,(H,34,37).
What are the key properties of 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide?
2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide has a molecular weight of 991.34 g/mol, XLogP of 13.58, 22 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-7-[3-(4-hydroxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide;2-cyclopentyl-7-[3-(4-methylphenyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(pyridin-2-ylmethyl)heptanamide is sourced from PubChem (CID 161004787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).