3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide

C16H12ClFN4O — CID 78322287

IUPAC3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnc2n1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H12ClFN4O/c17-11-6-5-10(8-12(11)18)22-14-13(2-1-7-19-14)21-15(22)16(23)20-9-3-4-9/h1-2,5-9H,3-4H2,(H,20,23)
InChIKeyBPXDOOLHZUYSIJ-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide

3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 78322287) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide
PubChem CID78322287
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide
SMILESO=C(NC1CC1)c1nc2cccnc2n1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H12ClFN4O/c17-11-6-5-10(8-12(11)18)22-14-13(2-1-7-19-14)21-15(22)16(23)20-9-3-4-9/h1-2,5-9H,3-4H2,(H,20,23)
InChIKeyBPXDOOLHZUYSIJ-UHFFFAOYSA-N
XLogP3.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide (CID 78322287) is 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide is O=C(NC1CC1)c1nc2cccnc2n1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is BPXDOOLHZUYSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-11-6-5-10(8-12(11)18)22-14-13(2-1-7-19-14)21-15(22)16(23)20-9-3-4-9/h1-2,5-9H,3-4H2,(H,20,23).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide?
3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-cyclopropylimidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 78322287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).