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

C16H12F3N7 — CID 57398135

IUPAC1-[(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)n3ccccc23)cn1
InChIInChI=1S/C16H12F3N7/c1-9-20-7-10(8-21-9)6-11-12-4-2-3-5-26(12)14(22-11)13-23-15(25-24-13)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,23,24,25)
InChIKeyRROGLLXUXNZEBF-UHFFFAOYSA-N
MW359.32 g/mol
LogP2.83
Rot. Bonds3

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

1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (PubChem CID 57398135) has the molecular formula C16H12F3N7 and a molecular weight of 359.32 g/mol. Its IUPAC name is 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
PubChem CID57398135
Molecular FormulaC16H12F3N7
Molecular Weight359.32 g/mol
Exact Mass359.11
IUPAC Name1-[(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)n3ccccc23)cn1
InChIInChI=1S/C16H12F3N7/c1-9-20-7-10(8-21-9)6-11-12-4-2-3-5-26(12)14(22-11)13-23-15(25-24-13)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,23,24,25)
InChIKeyRROGLLXUXNZEBF-UHFFFAOYSA-N
XLogP2.83
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine (CID 57398135) is 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 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 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)n3ccccc23)cn1.
What is the InChIKey of 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
The InChIKey is RROGLLXUXNZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7/c1-9-20-7-10(8-21-9)6-11-12-4-2-3-5-26(12)14(22-11)13-23-15(25-24-13)16(17,18)19/h2-5,7-8H,6H2,1H3,(H,23,24,25).
What are the key properties of 1-[(2-methylpyrimidin-5-yl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine?
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 359.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 57398135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).