5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid

C20H22ClN3O2 — CID 90914325

IUPAC5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid
SMILESCCc1nc2cc(C)c(Cl)nc2n1-c1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C20H22ClN3O2/c1-3-17-22-16-12-13(2)19(21)23-20(16)24(17)15-10-8-14(9-11-15)6-4-5-7-18(25)26/h8-12H,3-7H2,1-2H3,(H,25,26)
InChIKeyMMYKOJVPUNQXOE-UHFFFAOYSA-N
MW371.87 g/mol
LogP4.74
Rot. Bonds7

About 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid

5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid (PubChem CID 90914325) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid
PubChem CID90914325
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid
SMILESCCc1nc2cc(C)c(Cl)nc2n1-c1ccc(CCCCC(=O)O)cc1
InChIInChI=1S/C20H22ClN3O2/c1-3-17-22-16-12-13(2)19(21)23-20(16)24(17)15-10-8-14(9-11-15)6-4-5-7-18(25)26/h8-12H,3-7H2,1-2H3,(H,25,26)
InChIKeyMMYKOJVPUNQXOE-UHFFFAOYSA-N
XLogP4.74
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
The IUPAC name of 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid (CID 90914325) is 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid.
What is the SMILES notation for 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
The canonical SMILES for 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid is CCc1nc2cc(C)c(Cl)nc2n1-c1ccc(CCCCC(=O)O)cc1.
What is the InChIKey of 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
The InChIKey is MMYKOJVPUNQXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-3-17-22-16-12-13(2)19(21)23-20(16)24(17)15-10-8-14(9-11-15)6-4-5-7-18(25)26/h8-12H,3-7H2,1-2H3,(H,25,26).
What are the key properties of 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid?
5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid has a molecular weight of 371.87 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chloro-2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)phenyl]pentanoic acid is sourced from PubChem (CID 90914325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).