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

C24H28N6O2 — CID 118206058

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C24H28N6O2/c1-15(2)28-20-11-21(30-9-6-17-10-16(12-25)13-27-22(17)30)26-14-19(20)23(31)29-18-4-7-24(3,32)8-5-18/h6,9-11,13-15,18,32H,4-5,7-8H2,1-3H3,(H,26,28)(H,29,31)
InChIKeyLCCZGGQKXUAISV-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.54
Rot. Bonds5

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206058) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206058
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C)(O)CC1
InChIInChI=1S/C24H28N6O2/c1-15(2)28-20-11-21(30-9-6-17-10-16(12-25)13-27-22(17)30)26-14-19(20)23(31)29-18-4-7-24(3,32)8-5-18/h6,9-11,13-15,18,32H,4-5,7-8H2,1-3H3,(H,26,28)(H,29,31)
InChIKeyLCCZGGQKXUAISV-UHFFFAOYSA-N
XLogP3.54
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)-N-(4-pyridin-4-ylcyclohex-3-en-1-yl)pyridine-3-carboxamide
CID 118206545
N-cyclohexyl-6-(5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;formaldehyde
CID 164567946
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide
CID 157278074
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2S)-2-fluoro-3-hydroxybutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206363
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[4-(methylcarbamoyl)cyclohexyl]-4-(oxan-4-ylamino)pyridine-3-carboxamide
CID 118206095
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-morpholin-4-ylsulfonylpropyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 157358844
4-(3-carbamoylanilino)-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfanylcyclohexyl)pyridine-3-carboxamide
CID 146561014
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(3R)-1-methylsulfonylpiperidin-3-yl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206589
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[2-(1,4-dihydroxy-4-methylcyclohexyl)ethyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206967
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopentylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118206233
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(1-hydroxypropan-2-ylamino)pyridine-3-carboxamide
CID 118206073
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[(2S)-3-hydroxy-5-methylhexan-2-yl]amino]pyridine-3-carboxamide
CID 118206694

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206058) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-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-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C)(O)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is LCCZGGQKXUAISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15(2)28-20-11-21(30-9-6-17-10-16(12-25)13-27-22(17)30)26-14-19(20)23(31)29-18-4-7-24(3,32)8-5-18/h6,9-11,13-15,18,32H,4-5,7-8H2,1-3H3,(H,26,28)(H,29,31).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).