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

C19H27N3O2 — CID 82070609

IUPAC4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid
SMILESCc1cnc2c(c1)nc(CCC1CCCCC1)n2CCCC(=O)O
InChIInChI=1S/C19H27N3O2/c1-14-12-16-19(20-13-14)22(11-5-8-18(23)24)17(21-16)10-9-15-6-3-2-4-7-15/h12-13,15H,2-11H2,1H3,(H,23,24)
InChIKeyRTWYVNLQGXTYLY-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.12
Rot. Bonds7

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

4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid (PubChem CID 82070609) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid
PubChem CID82070609
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid
SMILESCc1cnc2c(c1)nc(CCC1CCCCC1)n2CCCC(=O)O
InChIInChI=1S/C19H27N3O2/c1-14-12-16-19(20-13-14)22(11-5-8-18(23)24)17(21-16)10-9-15-6-3-2-4-7-15/h12-13,15H,2-11H2,1H3,(H,23,24)
InChIKeyRTWYVNLQGXTYLY-UHFFFAOYSA-N
XLogP4.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid?
The IUPAC name of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid (CID 82070609) is 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid.
What is the SMILES notation for 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid?
The canonical SMILES for 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid is Cc1cnc2c(c1)nc(CCC1CCCCC1)n2CCCC(=O)O.
What is the InChIKey of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid?
The InChIKey is RTWYVNLQGXTYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-12-16-19(20-13-14)22(11-5-8-18(23)24)17(21-16)10-9-15-6-3-2-4-7-15/h12-13,15H,2-11H2,1H3,(H,23,24).
What are the key properties of 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid?
4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid has a molecular weight of 329.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]butanoic acid is sourced from PubChem (CID 82070609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).