3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide

C17H12ClFN6O — CID 78322291

IUPAC3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc3cccnc3n2-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C17H12ClFN6O/c1-24-8-6-14(23-24)22-17(26)16-21-13-3-2-7-20-15(13)25(16)10-4-5-11(18)12(19)9-10/h2-9H,1H3,(H,22,23,26)
InChIKeyMSMKCSNLKWZKCR-UHFFFAOYSA-N
MW370.78 g/mol
LogP3.20
Rot. Bonds3

About 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide

3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 78322291) has the molecular formula C17H12ClFN6O and a molecular weight of 370.78 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID78322291
Molecular FormulaC17H12ClFN6O
Molecular Weight370.78 g/mol
Exact Mass370.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESCn1ccc(NC(=O)c2nc3cccnc3n2-c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C17H12ClFN6O/c1-24-8-6-14(23-24)22-17(26)16-21-13-3-2-7-20-15(13)25(16)10-4-5-11(18)12(19)9-10/h2-9H,1H3,(H,22,23,26)
InChIKeyMSMKCSNLKWZKCR-UHFFFAOYSA-N
XLogP3.20
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide (CID 78322291) is 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide is Cn1ccc(NC(=O)c2nc3cccnc3n2-c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is MSMKCSNLKWZKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN6O/c1-24-8-6-14(23-24)22-17(26)16-21-13-3-2-7-20-15(13)25(16)10-4-5-11(18)12(19)9-10/h2-9H,1H3,(H,22,23,26).
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?
3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 370.78 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-(1-methylpyrazol-3-yl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 78322291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).