2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C15H19N3O2S — CID 79279614

IUPAC2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1cnc2c(c1)nc(SCC(=O)O)n2CC1CCCC1
InChIInChI=1S/C15H19N3O2S/c1-10-6-12-14(16-7-10)18(8-11-4-2-3-5-11)15(17-12)21-9-13(19)20/h6-7,11H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyYLBOFXPKCKCPPQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.11
Rot. Bonds5

About 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79279614) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79279614
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1cnc2c(c1)nc(SCC(=O)O)n2CC1CCCC1
InChIInChI=1S/C15H19N3O2S/c1-10-6-12-14(16-7-10)18(8-11-4-2-3-5-11)15(17-12)21-9-13(19)20/h6-7,11H,2-5,8-9H2,1H3,(H,19,20)
InChIKeyYLBOFXPKCKCPPQ-UHFFFAOYSA-N
XLogP3.11
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-cyclopropylethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79301245
2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79301674
2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
2-[3-(cyclobutylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid
CID 43298853
2-[[4-(cyclopentylmethyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 43371224
2-[1-(cyclopropylmethyl)-7-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 115552054
3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209597
2-[5-tert-butyl-1-(cyclobutylmethyl)imidazol-2-yl]sulfanylacetic acid
CID 81337722
2-(2-chloroethyl)-3-(cyclobutylmethyl)-6-methylimidazo[4,5-b]pyridine
CID 79301428
2-[1-(cyclobutylmethyl)-6,7-difluorobenzimidazol-2-yl]sulfanylacetic acid
CID 62531701
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid
CID 82070609
2-[1-(cyclobutylmethyl)-6-fluoro-5-iodobenzimidazol-2-yl]sulfanylacetic acid
CID 66100974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79279614) is 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is Cc1cnc2c(c1)nc(SCC(=O)O)n2CC1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is YLBOFXPKCKCPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-12-14(16-7-10)18(8-11-4-2-3-5-11)15(17-12)21-9-13(19)20/h6-7,11H,2-5,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79279614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).