2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide

C18H16F4N4O2 — CID 131987603

IUPAC2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(C)n2cnc(C(=O)NC(c3ccc(F)cc3)C(F)(F)F)c2n1
InChIInChI=1S/C18H16F4N4O2/c1-10-7-13(8-28-2)24-16-14(23-9-26(10)16)17(27)25-15(18(20,21)22)11-3-5-12(19)6-4-11/h3-7,9,15H,8H2,1-2H3,(H,25,27)
InChIKeyJJJOIVJCAIYMHD-UHFFFAOYSA-N
MW396.34 g/mol
LogP3.36
Rot. Bonds5

About 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide

2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987603) has the molecular formula C18H16F4N4O2 and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987603
Molecular FormulaC18H16F4N4O2
Molecular Weight396.34 g/mol
Exact Mass396.12
IUPAC Name2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOCc1cc(C)n2cnc(C(=O)NC(c3ccc(F)cc3)C(F)(F)F)c2n1
InChIInChI=1S/C18H16F4N4O2/c1-10-7-13(8-28-2)24-16-14(23-9-26(10)16)17(27)25-15(18(20,21)22)11-3-5-12(19)6-4-11/h3-7,9,15H,8H2,1-2H3,(H,25,27)
InChIKeyJJJOIVJCAIYMHD-UHFFFAOYSA-N
XLogP3.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987603) is 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is COCc1cc(C)n2cnc(C(=O)NC(c3ccc(F)cc3)C(F)(F)F)c2n1.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is JJJOIVJCAIYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N4O2/c1-10-7-13(8-28-2)24-16-14(23-9-26(10)16)17(27)25-15(18(20,21)22)11-3-5-12(19)6-4-11/h3-7,9,15H,8H2,1-2H3,(H,25,27).
What are the key properties of 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 396.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).