2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C15H19N3O2S — CID 79277603

IUPAC2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1ccnc2c1nc(SCC(=O)O)n2C1CCCC1C
InChIInChI=1S/C15H19N3O2S/c1-9-4-3-5-11(9)18-14-13(10(2)6-7-16-14)17-15(18)21-8-12(19)20/h6-7,9,11H,3-5,8H2,1-2H3,(H,19,20)
InChIKeySKDOXPXXRYHKIC-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.28
Rot. Bonds4

About 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79277603) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79277603
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCc1ccnc2c1nc(SCC(=O)O)n2C1CCCC1C
InChIInChI=1S/C15H19N3O2S/c1-9-4-3-5-11(9)18-14-13(10(2)6-7-16-14)17-15(18)21-8-12(19)20/h6-7,9,11H,3-5,8H2,1-2H3,(H,19,20)
InChIKeySKDOXPXXRYHKIC-UHFFFAOYSA-N
XLogP3.28
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79277603) is 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is Cc1ccnc2c1nc(SCC(=O)O)n2C1CCCC1C.
What is the InChIKey of 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is SKDOXPXXRYHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-4-3-5-11(9)18-14-13(10(2)6-7-16-14)17-15(18)21-8-12(19)20/h6-7,9,11H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).