3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine

C17H12F3N5 — CID 57392865

IUPAC3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)F)n2)n2ccccc12
InChIInChI=1S/C17H12F3N5/c18-11-6-2-1-5-10(11)9-12-13-7-3-4-8-25(13)17(21-12)16-22-15(14(19)20)23-24-16/h1-8,14H,9H2,(H,22,23,24)
InChIKeyHMLLVUGZZGIFCS-UHFFFAOYSA-N
MW343.31 g/mol
LogP3.79
Rot. Bonds4

About 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine

3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine (PubChem CID 57392865) has the molecular formula C17H12F3N5 and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
PubChem CID57392865
Molecular FormulaC17H12F3N5
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)F)n2)n2ccccc12
InChIInChI=1S/C17H12F3N5/c18-11-6-2-1-5-10(11)9-12-13-7-3-4-8-25(13)17(21-12)16-22-15(14(19)20)23-24-16/h1-8,14H,9H2,(H,22,23,24)
InChIKeyHMLLVUGZZGIFCS-UHFFFAOYSA-N
XLogP3.79
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine (CID 57392865) is 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine is Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)F)n2)n2ccccc12.
What is the InChIKey of 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
The InChIKey is HMLLVUGZZGIFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5/c18-11-6-2-1-5-10(11)9-12-13-7-3-4-8-25(13)17(21-12)16-22-15(14(19)20)23-24-16/h1-8,14H,9H2,(H,22,23,24).
What are the key properties of 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine?
3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine has a molecular weight of 343.31 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(difluoromethyl)-1H-1,2,4-triazol-3-yl]-1-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 57392865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).