8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine

C16H11F4N7 — CID 57391081

IUPAC8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESCc1ncc(Cc2nc(-c3n[nH]c(C(F)(F)F)n3)n3cccc(F)c23)cn1
InChIInChI=1S/C16H11F4N7/c1-8-21-6-9(7-22-8)5-11-12-10(17)3-2-4-27(12)14(23-11)13-24-15(26-25-13)16(18,19)20/h2-4,6-7H,5H2,1H3,(H,24,25,26)
InChIKeyPJHZRVIOQPMWLY-UHFFFAOYSA-N
MW377.31 g/mol
LogP2.97
Rot. Bonds3

About 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine

8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (PubChem CID 57391081) has the molecular formula C16H11F4N7 and a molecular weight of 377.31 g/mol. Its IUPAC name is 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
PubChem CID57391081
Molecular FormulaC16H11F4N7
Molecular Weight377.31 g/mol
Exact Mass377.10
IUPAC Name8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
SMILESCc1ncc(Cc2nc(-c3n[nH]c(C(F)(F)F)n3)n3cccc(F)c23)cn1
InChIInChI=1S/C16H11F4N7/c1-8-21-6-9(7-22-8)5-11-12-10(17)3-2-4-27(12)14(23-11)13-24-15(26-25-13)16(18,19)20/h2-4,6-7H,5H2,1H3,(H,24,25,26)
InChIKeyPJHZRVIOQPMWLY-UHFFFAOYSA-N
XLogP2.97
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

Avapritinib
CID 118023034
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
Ly-2584702
CID 25118925
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo(1,2-a:4,5-c')dipyridin-7-amine
CID 15953860
3-(5-Cyclopropyl-1H-pyrazol-3-yl)-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-5-amine
CID 25115964
Vlx-600
CID 6410104
Zagociguat
CID 134304734

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The IUPAC name of 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (CID 57391081) is 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The canonical SMILES for 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is Cc1ncc(Cc2nc(-c3n[nH]c(C(F)(F)F)n3)n3cccc(F)c23)cn1.
What is the InChIKey of 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is PJHZRVIOQPMWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N7/c1-8-21-6-9(7-22-8)5-11-12-10(17)3-2-4-27(12)14(23-11)13-24-15(26-25-13)16(18,19)20/h2-4,6-7H,5H2,1H3,(H,24,25,26).
What are the key properties of 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine has a molecular weight of 377.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 57391081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).