2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide

C29H27N5O2 — CID 67500945

IUPAC2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2ccc3c(-c4cnc5ccccc5c4)ccnc32)cc1NC1CCC(O)CC1
InChIInChI=1S/C29H27N5O2/c30-28(36)25-10-7-21(16-27(25)33-20-5-8-22(35)9-6-20)34-14-12-24-23(11-13-31-29(24)34)19-15-18-3-1-2-4-26(18)32-17-19/h1-4,7,10-17,20,22,33,35H,5-6,8-9H2,(H2,30,36)
InChIKeyQIYCHQSCHISFFK-UHFFFAOYSA-N
MW477.57 g/mol
LogP5.05
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide

2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide (PubChem CID 67500945) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
PubChem CID67500945
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2ccc3c(-c4cnc5ccccc5c4)ccnc32)cc1NC1CCC(O)CC1
InChIInChI=1S/C29H27N5O2/c30-28(36)25-10-7-21(16-27(25)33-20-5-8-22(35)9-6-20)34-14-12-24-23(11-13-31-29(24)34)19-15-18-3-1-2-4-26(18)32-17-19/h1-4,7,10-17,20,22,33,35H,5-6,8-9H2,(H2,30,36)
InChIKeyQIYCHQSCHISFFK-UHFFFAOYSA-N
XLogP5.05
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide with MolForge

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Related Compounds

{4-[9-(3-Fluoro-phenyl)-2-trans-(4-hydroxy-cyclohexylamino)-9H-purin-6-ylamino]-phenyl}-piperidin-1-yl-methanone
CID 24762177
(2,6-dimethyl-4-pyridinyl)-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-pentan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-5-yl]piperidin-1-yl]methanone
CID 146403042
4-[(4-hydroxycyclohexyl)amino]-N-(1-phenylcyclopropyl)imidazo[1,2-a]quinoxaline-8-carboxamide
CID 72164440
N-[1-(4-Fluorophenyl)cyclopropyl]-4-[(Trans-4-Hydroxycyclohexyl)amino]imidazo[1,2-A]quinoxaline-8-Carboxamide
CID 72700745
2-[(4-Hydroxycyclohexyl)amino]-4-(3-methyl-4-quinolin-3-ylindol-1-yl)benzamide
CID 49842657
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[4,3-c]pyridin-1-yl)benzamide
CID 49871894
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 49871895
2-[(4-Hydroxycyclohexyl)amino]-4-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 49871988
6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide
CID 66888945
2-[(4-Hydroxycyclohexyl)amino]-4-[3-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-3-yl)pyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500276
2-[(4-Hydroxycyclohexyl)amino]-4-[4-(4-phenylimidazol-1-yl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 67500997
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 67501291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide (CID 67500945) is 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide is NC(=O)c1ccc(-n2ccc3c(-c4cnc5ccccc5c4)ccnc32)cc1NC1CCC(O)CC1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide?
The InChIKey is QIYCHQSCHISFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c30-28(36)25-10-7-21(16-27(25)33-20-5-8-22(35)9-6-20)34-14-12-24-23(11-13-31-29(24)34)19-15-18-3-1-2-4-26(18)32-17-19/h1-4,7,10-17,20,22,33,35H,5-6,8-9H2,(H2,30,36).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide?
2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide has a molecular weight of 477.57 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide is sourced from PubChem (CID 67500945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).