6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide

C26H28N6O2 — CID 157278074

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide
SMILESCC(=O)CC1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CC2)CC1
InChIInChI=1S/C26H28N6O2/c1-16(33)10-17-2-4-21(5-3-17)31-26(34)22-15-28-24(12-23(22)30-20-6-7-20)32-9-8-19-11-18(13-27)14-29-25(19)32/h8-9,11-12,14-15,17,20-21H,2-7,10H2,1H3,(H,28,30)(H,31,34)
InChIKeyAZIJLBXKMKMZLC-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.13
Rot. Bonds7

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 157278074) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID157278074
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide
SMILESCC(=O)CC1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CC2)CC1
InChIInChI=1S/C26H28N6O2/c1-16(33)10-17-2-4-21(5-3-17)31-26(34)22-15-28-24(12-23(22)30-20-6-7-20)32-9-8-19-11-18(13-27)14-29-25(19)32/h8-9,11-12,14-15,17,20-21H,2-7,10H2,1H3,(H,28,30)(H,31,34)
InChIKeyAZIJLBXKMKMZLC-UHFFFAOYSA-N
XLogP4.13
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(4-hydroxy-4-methylcyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 118206058
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)-4-[(3-fluorocyclopentyl)amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118206091
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206088
4-(3-carbamoylanilino)-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-methylsulfanylcyclohexyl)pyridine-3-carboxamide
CID 146561014
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylsulfonylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 118206192
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
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(5-fluoropyrimidin-2-yl)azetidin-3-yl]amino]pyridine-3-carboxamide
CID 118206612
4-amino-6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 144881731
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-4-ylmethylamino)pyridine-3-carboxamide
CID 118206768

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide (CID 157278074) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide is CC(=O)CC1CCC(NC(=O)c2cnc(-n3ccc4cc(C#N)cnc43)cc2NC2CC2)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is AZIJLBXKMKMZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16(33)10-17-2-4-21(5-3-17)31-26(34)22-15-28-24(12-23(22)30-20-6-7-20)32-9-8-19-11-18(13-27)14-29-25(19)32/h8-9,11-12,14-15,17,20-21H,2-7,10H2,1H3,(H,28,30)(H,31,34).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 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)-4-(cyclopropylamino)-N-[4-(2-oxopropyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 157278074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).