3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide

C13H12FN5O — CID 121498111

IUPAC3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCc3ncc[nH]3)c(F)n2c1
InChIInChI=1S/C13H12FN5O/c1-8-2-3-10-18-11(12(14)19(10)7-8)13(20)17-6-9-15-4-5-16-9/h2-5,7H,6H2,1H3,(H,15,16)(H,17,20)
InChIKeyUDIMEVGYMOCHCG-UHFFFAOYSA-N
MW273.27 g/mol
LogP1.43
Rot. Bonds3

About 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 121498111) has the molecular formula C13H12FN5O and a molecular weight of 273.27 g/mol. Its IUPAC name is 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID121498111
Molecular FormulaC13H12FN5O
Molecular Weight273.27 g/mol
Exact Mass273.10
IUPAC Name3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccc2nc(C(=O)NCc3ncc[nH]3)c(F)n2c1
InChIInChI=1S/C13H12FN5O/c1-8-2-3-10-18-11(12(14)19(10)7-8)13(20)17-6-9-15-4-5-16-9/h2-5,7H,6H2,1H3,(H,15,16)(H,17,20)
InChIKeyUDIMEVGYMOCHCG-UHFFFAOYSA-N
XLogP1.43
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 121498111) is 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1ccc2nc(C(=O)NCc3ncc[nH]3)c(F)n2c1.
What is the InChIKey of 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UDIMEVGYMOCHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O/c1-8-2-3-10-18-11(12(14)19(10)7-8)13(20)17-6-9-15-4-5-16-9/h2-5,7H,6H2,1H3,(H,15,16)(H,17,20).
What are the key properties of 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide?
3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 273.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1H-imidazol-2-ylmethyl)-6-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 121498111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).