2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid

C14H17N3O3S — CID 115322054

IUPAC2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
SMILESCOc1ccc2nc(SCC(=O)O)n(C3CCCC3)c2n1
InChIInChI=1S/C14H17N3O3S/c1-20-11-7-6-10-13(16-11)17(9-4-2-3-5-9)14(15-10)21-8-12(18)19/h6-7,9H,2-5,8H2,1H3,(H,18,19)
InChIKeyNUYUUJLDMMAYKG-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.73
Rot. Bonds5

About 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid

2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid (PubChem CID 115322054) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
PubChem CID115322054
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
SMILESCOc1ccc2nc(SCC(=O)O)n(C3CCCC3)c2n1
InChIInChI=1S/C14H17N3O3S/c1-20-11-7-6-10-13(16-11)17(9-4-2-3-5-9)14(15-10)21-8-12(18)19/h6-7,9H,2-5,8H2,1H3,(H,18,19)
InChIKeyNUYUUJLDMMAYKG-UHFFFAOYSA-N
XLogP2.73
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 115322042
2-(1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 29066136
2-[5-methoxy-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 115322061
2-(1-cyclohexyl-5-iodobenzimidazol-2-yl)sulfanylacetic acid
CID 66080161
2-(1-cyclobutylbenzimidazol-2-yl)sulfanylacetic acid
CID 62415191
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
2-(2-chloroethyl)-3-cycloheptyl-5-methoxyimidazo[4,5-b]pyridine
CID 115322701
2-(1-cyclobutyl-6,7-difluorobenzimidazol-2-yl)sulfanylacetic acid
CID 62532208
2-(3-cyclopentyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 43525776
2-[1-(3-methylcyclohexyl)imidazo[4,5-c]pyridin-2-yl]sulfanylacetic acid
CID 79271892
2-[5-methyl-1-(2-methylcyclopentyl)benzimidazol-2-yl]sulfanylacetic acid
CID 63281220
8-(3-cyclobutyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)-1-fluoro-2-(fluoromethyl)-2-hydroxyoctan-4-one
CID 139518479

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid (CID 115322054) is 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid is COc1ccc2nc(SCC(=O)O)n(C3CCCC3)c2n1.
What is the InChIKey of 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
The InChIKey is NUYUUJLDMMAYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-11-7-6-10-13(16-11)17(9-4-2-3-5-9)14(15-10)21-8-12(18)19/h6-7,9H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid has a molecular weight of 307.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 115322054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).