8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine

C17H14F3N7 — CID 11428738

IUPAC8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(CC(F)F)c(Cn3ccnc3-c3ncccc3F)ncn2n1
InChIInChI=1S/C17H14F3N7/c1-10-24-16-11(7-14(19)20)13(23-9-27(16)25-10)8-26-6-5-22-17(26)15-12(18)3-2-4-21-15/h2-6,9,14H,7-8H2,1H3
InChIKeyCDFFJLUXSUAEDN-UHFFFAOYSA-N
MW373.34 g/mol
LogP2.69
Rot. Bonds5

About 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine

8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine (PubChem CID 11428738) has the molecular formula C17H14F3N7 and a molecular weight of 373.34 g/mol. Its IUPAC name is 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
PubChem CID11428738
Molecular FormulaC17H14F3N7
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC Name8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
SMILESCc1nc2c(CC(F)F)c(Cn3ccnc3-c3ncccc3F)ncn2n1
InChIInChI=1S/C17H14F3N7/c1-10-24-16-11(7-14(19)20)13(23-9-27(16)25-10)8-26-6-5-22-17(26)15-12(18)3-2-4-21-15/h2-6,9,14H,7-8H2,1H3
InChIKeyCDFFJLUXSUAEDN-UHFFFAOYSA-N
XLogP2.69
TPSA73.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The IUPAC name of 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine (CID 11428738) is 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine.
What is the SMILES notation for 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The canonical SMILES for 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine is Cc1nc2c(CC(F)F)c(Cn3ccnc3-c3ncccc3F)ncn2n1.
What is the InChIKey of 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
The InChIKey is CDFFJLUXSUAEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N7/c1-10-24-16-11(7-14(19)20)13(23-9-27(16)25-10)8-26-6-5-22-17(26)15-12(18)3-2-4-21-15/h2-6,9,14H,7-8H2,1H3.
What are the key properties of 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine?
8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine has a molecular weight of 373.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethyl)-7-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine is sourced from PubChem (CID 11428738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).