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

C15H19N3O2S — CID 79274812

IUPAC2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCCC(CC1CC1)n1c(SCC(=O)O)nc2cccnc21
InChIInChI=1S/C15H19N3O2S/c1-2-11(8-10-5-6-10)18-14-12(4-3-7-16-14)17-15(18)21-9-13(19)20/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,19,20)
InChIKeyLXCQMQLHUBGVIM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.36
Rot. Bonds7

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

2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79274812) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79274812
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCCC(CC1CC1)n1c(SCC(=O)O)nc2cccnc21
InChIInChI=1S/C15H19N3O2S/c1-2-11(8-10-5-6-10)18-14-12(4-3-7-16-14)17-15(18)21-9-13(19)20/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,19,20)
InChIKeyLXCQMQLHUBGVIM-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79274812) is 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is CCC(CC1CC1)n1c(SCC(=O)O)nc2cccnc21.
What is the InChIKey of 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is LXCQMQLHUBGVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-11(8-10-5-6-10)18-14-12(4-3-7-16-14)17-15(18)21-9-13(19)20/h3-4,7,10-11H,2,5-6,8-9H2,1H3,(H,19,20).
What are the key properties of 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-cyclopropylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79274812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).