3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid

C15H18ClN3O2 — CID 93209976

IUPAC3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCn1c(C2CCCCC2)nc2cc(Cl)cnc21
InChIInChI=1S/C15H18ClN3O2/c16-11-8-12-15(17-9-11)19(7-6-13(20)21)14(18-12)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,21)
InChIKeyUOHGZBKWGNRSCP-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.61
Rot. Bonds4

About 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid

3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 93209976) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID93209976
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESO=C(O)CCn1c(C2CCCCC2)nc2cc(Cl)cnc21
InChIInChI=1S/C15H18ClN3O2/c16-11-8-12-15(17-9-11)19(7-6-13(20)21)14(18-12)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,21)
InChIKeyUOHGZBKWGNRSCP-UHFFFAOYSA-N
XLogP3.61
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 93209976) is 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid is O=C(O)CCn1c(C2CCCCC2)nc2cc(Cl)cnc21.
What is the InChIKey of 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is UOHGZBKWGNRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-8-12-15(17-9-11)19(7-6-13(20)21)14(18-12)10-4-2-1-3-5-10/h8-10H,1-7H2,(H,20,21).
What are the key properties of 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 307.78 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-cyclohexylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 93209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).