2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C16H12F3N5OS — CID 166079447

IUPAC2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1Cc1cc(-n2cc3c(C(F)(F)F)cccn3c2=O)cs1
InChIInChI=1S/C16H12F3N5OS/c1-22-9-20-21-14(22)6-11-5-10(8-26-11)24-7-13-12(16(17,18)19)3-2-4-23(13)15(24)25/h2-5,7-9H,6H2,1H3
InChIKeyDXSKQZXWHKMEPE-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.89
Rot. Bonds3

About 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166079447) has the molecular formula C16H12F3N5OS and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID166079447
Molecular FormulaC16H12F3N5OS
Molecular Weight379.37 g/mol
Exact Mass379.07
IUPAC Name2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCn1cnnc1Cc1cc(-n2cc3c(C(F)(F)F)cccn3c2=O)cs1
InChIInChI=1S/C16H12F3N5OS/c1-22-9-20-21-14(22)6-11-5-10(8-26-11)24-7-13-12(16(17,18)19)3-2-4-23(13)15(24)25/h2-5,7-9H,6H2,1H3
InChIKeyDXSKQZXWHKMEPE-UHFFFAOYSA-N
XLogP2.89
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166079447) is 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cn1cnnc1Cc1cc(-n2cc3c(C(F)(F)F)cccn3c2=O)cs1.
What is the InChIKey of 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is DXSKQZXWHKMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5OS/c1-22-9-20-21-14(22)6-11-5-10(8-26-11)24-7-13-12(16(17,18)19)3-2-4-23(13)15(24)25/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 379.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophen-3-yl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166079447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).