3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide

C17H13FN6O — CID 57399794

IUPAC3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(-c2nc(Cc3ccccc3F)c3ccccn23)n[nH]1
InChIInChI=1S/C17H13FN6O/c18-11-6-2-1-5-10(11)9-12-13-7-3-4-8-24(13)17(20-12)16-21-15(14(19)25)22-23-16/h1-8H,9H2,(H2,19,25)(H,21,22,23)
InChIKeyXUYGENJSMNOEQT-UHFFFAOYSA-N
MW336.33 g/mol
LogP1.95
Rot. Bonds4

About 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide

3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 57399794) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID57399794
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1nc(-c2nc(Cc3ccccc3F)c3ccccn23)n[nH]1
InChIInChI=1S/C17H13FN6O/c18-11-6-2-1-5-10(11)9-12-13-7-3-4-8-24(13)17(20-12)16-21-15(14(19)25)22-23-16/h1-8H,9H2,(H2,19,25)(H,21,22,23)
InChIKeyXUYGENJSMNOEQT-UHFFFAOYSA-N
XLogP1.95
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide (CID 57399794) is 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide is NC(=O)c1nc(-c2nc(Cc3ccccc3F)c3ccccn23)n[nH]1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is XUYGENJSMNOEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c18-11-6-2-1-5-10(11)9-12-13-7-3-4-8-24(13)17(20-12)16-21-15(14(19)25)22-23-16/h1-8H,9H2,(H2,19,25)(H,21,22,23).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide?
3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 336.33 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-3-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 57399794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).