2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide

C17H14ClFN4O2 — CID 134494086

IUPAC2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(Cl)c3)cc21)NC1CC1
InChIInChI=1S/C17H14ClFN4O2/c18-12-5-9(1-4-13(12)19)10-6-14-16(20-7-10)22-17(25)23(14)8-15(24)21-11-2-3-11/h1,4-7,11H,2-3,8H2,(H,21,24)(H,20,22,25)
InChIKeyGQHKPBAPXWZJIM-UHFFFAOYSA-N
MW360.78 g/mol
LogP2.46
Rot. Bonds4

About 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide

2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide (PubChem CID 134494086) has the molecular formula C17H14ClFN4O2 and a molecular weight of 360.78 g/mol. Its IUPAC name is 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
PubChem CID134494086
Molecular FormulaC17H14ClFN4O2
Molecular Weight360.78 g/mol
Exact Mass360.08
IUPAC Name2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(Cl)c3)cc21)NC1CC1
InChIInChI=1S/C17H14ClFN4O2/c18-12-5-9(1-4-13(12)19)10-6-14-16(20-7-10)22-17(25)23(14)8-15(24)21-11-2-3-11/h1,4-7,11H,2-3,8H2,(H,21,24)(H,20,22,25)
InChIKeyGQHKPBAPXWZJIM-UHFFFAOYSA-N
XLogP2.46
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.78
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide (CID 134494086) is 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide is O=C(Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(Cl)c3)cc21)NC1CC1.
What is the InChIKey of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
The InChIKey is GQHKPBAPXWZJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O2/c18-12-5-9(1-4-13(12)19)10-6-14-16(20-7-10)22-17(25)23(14)8-15(24)21-11-2-3-11/h1,4-7,11H,2-3,8H2,(H,21,24)(H,20,22,25).
What are the key properties of 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide has a molecular weight of 360.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-chloro-4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 134494086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).