2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide

C19H26N4OS — CID 3214157

IUPAC2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1nc2cccnc2n1C1CCCCC1)NC1CCCC1
InChIInChI=1S/C19H26N4OS/c24-17(21-14-7-4-5-8-14)13-25-19-22-16-11-6-12-20-18(16)23(19)15-9-2-1-3-10-15/h6,11-12,14-15H,1-5,7-10,13H2,(H,21,24)
InChIKeyMVHADYWLNNTZIK-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.09
Rot. Bonds5

About 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide

2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide (PubChem CID 3214157) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
PubChem CID3214157
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1nc2cccnc2n1C1CCCCC1)NC1CCCC1
InChIInChI=1S/C19H26N4OS/c24-17(21-14-7-4-5-8-14)13-25-19-22-16-11-6-12-20-18(16)23(19)15-9-2-1-3-10-15/h6,11-12,14-15H,1-5,7-10,13H2,(H,21,24)
InChIKeyMVHADYWLNNTZIK-UHFFFAOYSA-N
XLogP4.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8979979
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 35862431
2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972087
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7989255
2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7989252
N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 8980360
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
N-cyclohexyl-3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanamide
CID 20867515
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide (CID 3214157) is 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide is O=C(CSc1nc2cccnc2n1C1CCCCC1)NC1CCCC1.
What is the InChIKey of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide?
The InChIKey is MVHADYWLNNTZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c24-17(21-14-7-4-5-8-14)13-25-19-22-16-11-6-12-20-18(16)23(19)15-9-2-1-3-10-15/h6,11-12,14-15H,1-5,7-10,13H2,(H,21,24).
What are the key properties of 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide?
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide has a molecular weight of 358.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 3214157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).