(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide

C17H24N4OS — CID 92503950

IUPAC(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide
SMILESCC[C@@H](Sc1nc2ncccc2[nH]1)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H24N4OS/c1-3-14(16(22)19-12-8-6-11(2)7-9-12)23-17-20-13-5-4-10-18-15(13)21-17/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,19,22)(H,18,20,21)/t11?,12?,14-/m1/s1
InChIKeyMQLIRPHNUZTSIW-ORHYLEIMSA-N
MW332.47 g/mol
LogP3.52
Rot. Bonds5

About (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide

(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide (PubChem CID 92503950) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide
PubChem CID92503950
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide
SMILESCC[C@@H](Sc1nc2ncccc2[nH]1)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C17H24N4OS/c1-3-14(16(22)19-12-8-6-11(2)7-9-12)23-17-20-13-5-4-10-18-15(13)21-17/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,19,22)(H,18,20,21)/t11?,12?,14-/m1/s1
InChIKeyMQLIRPHNUZTSIW-ORHYLEIMSA-N
XLogP3.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide?
The IUPAC name of (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide (CID 92503950) is (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide.
What is the SMILES notation for (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide?
The canonical SMILES for (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide is CC[C@@H](Sc1nc2ncccc2[nH]1)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide?
The InChIKey is MQLIRPHNUZTSIW-ORHYLEIMSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-3-14(16(22)19-12-8-6-11(2)7-9-12)23-17-20-13-5-4-10-18-15(13)21-17/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,19,22)(H,18,20,21)/t11?,12?,14-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide?
(2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide has a molecular weight of 332.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4-methylcyclohexyl)butanamide is sourced from PubChem (CID 92503950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).