6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C28H29N7O2 — CID 118206183

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C28H29N7O2/c1-18(2)33-24-13-25(35-11-7-20-12-19(14-29)15-32-26(20)35)31-17-23(24)27(36)34-22-5-8-28(37,9-6-22)21-4-3-10-30-16-21/h3-4,7,10-13,15-18,22,37H,5-6,8-9H2,1-2H3,(H,31,33)(H,34,36)
InChIKeyBTXOTEMXCOQLQS-UHFFFAOYSA-N
MW495.59 g/mol
LogP4.07
Rot. Bonds6

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206183) has the molecular formula C28H29N7O2 and a molecular weight of 495.59 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206183
Molecular FormulaC28H29N7O2
Molecular Weight495.59 g/mol
Exact Mass495.24
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C28H29N7O2/c1-18(2)33-24-13-25(35-11-7-20-12-19(14-29)15-32-26(20)35)31-17-23(24)27(36)34-22-5-8-28(37,9-6-22)21-4-3-10-30-16-21/h3-4,7,10-13,15-18,22,37H,5-6,8-9H2,1-2H3,(H,31,33)(H,34,36)
InChIKeyBTXOTEMXCOQLQS-UHFFFAOYSA-N
XLogP4.07
TPSA128.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)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

4-({1-[5-(hydroxymethyl)pyridine-2-yl]piperidine-4-yl}amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 24958855
US11001586, Example 28
CID 146402997
N-(1-ethylpiperidin-4-yl)-4-[[5-fluoro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 156282972
4-[[5-fluoro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 156282979
4-[[5-fluoro-7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)benzamide
CID 156282984
4-[[7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 156283148
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 91820665
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206147
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206908
2-[3-(hydroxymethyl)phenyl]-N-{5-[(7-isopropyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]pyridin-3-yl}acetamide
CID 70817787
2-[1-(4-hydroxyphenyl)pyrrol-3-yl]-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683834
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118205974

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206183) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is BTXOTEMXCOQLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2/c1-18(2)33-24-13-25(35-11-7-20-12-19(14-29)15-32-26(20)35)31-17-23(24)27(36)34-22-5-8-28(37,9-6-22)21-4-3-10-30-16-21/h3-4,7,10-13,15-18,22,37H,5-6,8-9H2,1-2H3,(H,31,33)(H,34,36).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 495.59 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-pyridin-3-ylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).