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

C23H26N6O2 — CID 118206619

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C23H26N6O2/c1-14(2)27-20-10-21(29-8-7-16-9-15(11-24)12-26-22(16)29)25-13-19(20)23(31)28-17-3-5-18(30)6-4-17/h7-10,12-14,17-18,30H,3-6H2,1-2H3,(H,25,27)(H,28,31)
InChIKeyXYCKVQPSOMRMOS-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.15
Rot. Bonds5

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

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 118206619) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID118206619
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)CC1
InChIInChI=1S/C23H26N6O2/c1-14(2)27-20-10-21(29-8-7-16-9-15(11-24)12-26-22(16)29)25-13-19(20)23(31)28-17-3-5-18(30)6-4-17/h7-10,12-14,17-18,30H,3-6H2,1-2H3,(H,25,27)(H,28,31)
InChIKeyXYCKVQPSOMRMOS-UHFFFAOYSA-N
XLogP3.15
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Cyanophenyl)-N-{5-[7-(Propan-2-Yl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonyl]pyridin-3-Yl}acetamide
CID 70847539
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292007
US11001586, Example 55
CID 146402892
(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
(R)-6-(5-Cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(isopropylamino)nicotinamide
CID 118206002
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 122182159
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
4-{[1-(5-carbamoylpyridine-2-yl)piperidine-4-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 24958852
4-({1-[5-(hydroxymethyl)pyridine-2-yl]piperidine-4-yl}amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 24958855
3-cyano-N-(3-(3-hydroxypropyl)-6-(piperidine-1-carbonyl)-3H-imidazo[4,5-b]pyridin-2-yl)benzamide
CID 52942091
4-[[1-[(3-cyanophenyl)methyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291929
4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59291951

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 118206619) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(O)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is XYCKVQPSOMRMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-14(2)27-20-10-21(29-8-7-16-9-15(11-24)12-26-22(16)29)25-13-19(20)23(31)28-17-3-5-18(30)6-4-17/h7-10,12-14,17-18,30H,3-6H2,1-2H3,(H,25,27)(H,28,31).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-N-(4-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.15, 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-hydroxycyclohexyl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).