2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C14H18ClN3O2S — CID 106330048

IUPAC2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCCC(C)(CC)n1c(SCC(=O)O)nc2cc(Cl)cnc21
InChIInChI=1S/C14H18ClN3O2S/c1-4-14(3,5-2)18-12-10(6-9(15)7-16-12)17-13(18)21-8-11(19)20/h6-7H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyLGHDCMMXOJEVRL-UHFFFAOYSA-N
MW327.84 g/mol
LogP3.80
Rot. Bonds6

About 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 106330048) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID106330048
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCCC(C)(CC)n1c(SCC(=O)O)nc2cc(Cl)cnc21
InChIInChI=1S/C14H18ClN3O2S/c1-4-14(3,5-2)18-12-10(6-9(15)7-16-12)17-13(18)21-8-11(19)20/h6-7H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyLGHDCMMXOJEVRL-UHFFFAOYSA-N
XLogP3.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid with MolForge

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Related Compounds

2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
2-[7-chloro-1-(3-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106330046
2-[6-chloro-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 113303862
2-[6-fluoro-1-(3-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106330052
2-[6-bromo-1-(3-methylpentan-3-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 106330054
2-[1-(3-methylpentan-3-yl)-5-propan-2-ylimidazol-2-yl]sulfanylacetic acid
CID 106330569
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 82143426
2-[6-chloro-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]sulfanyl-2-methylpropanoic acid
CID 14953113
2-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetic acid
CID 7174443
2-[5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661349
2-[5-methoxy-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 115322061
2-[5-fluoro-6-methyl-1-(2-methylbutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 103592566

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 106330048) is 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is CCC(C)(CC)n1c(SCC(=O)O)nc2cc(Cl)cnc21.
What is the InChIKey of 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is LGHDCMMXOJEVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-4-14(3,5-2)18-12-10(6-9(15)7-16-12)17-13(18)21-8-11(19)20/h6-7H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 327.84 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(3-methylpentan-3-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 106330048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).