2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C14H16BrN3O2S — CID 79279695

IUPAC2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCC1(n2c(SCC(=O)O)nc3cc(Br)cnc32)CCCC1
InChIInChI=1S/C14H16BrN3O2S/c1-14(4-2-3-5-14)18-12-10(6-9(15)7-16-12)17-13(18)21-8-11(19)20/h6-7H,2-5,8H2,1H3,(H,19,20)
InChIKeyAVYZGDDRHVSXEG-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.66
Rot. Bonds4

About 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79279695) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79279695
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCC1(n2c(SCC(=O)O)nc3cc(Br)cnc32)CCCC1
InChIInChI=1S/C14H16BrN3O2S/c1-14(4-2-3-5-14)18-12-10(6-9(15)7-16-12)17-13(18)21-8-11(19)20/h6-7H,2-5,8H2,1H3,(H,19,20)
InChIKeyAVYZGDDRHVSXEG-UHFFFAOYSA-N
XLogP3.66
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79279695) is 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is CC1(n2c(SCC(=O)O)nc3cc(Br)cnc32)CCCC1.
What is the InChIKey of 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is AVYZGDDRHVSXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-14(4-2-3-5-14)18-12-10(6-9(15)7-16-12)17-13(18)21-8-11(19)20/h6-7H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 370.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79279695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).