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

C36H32F8N8O4 — CID 158380934

IUPAC2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-(methoxymethyl)-2-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.COCc1cc(C)nc2c(C(=O)NC(c3ccc(F)cc3)C(F)(F)F)ncn12
InChIInChI=1S/2C18H16F4N4O2/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;1-10-7-13(8-28-2)26-9-23-14(16(26)24-10)17(27)25-15(18(20,21)22)11-3-5-12(19)6-4-11/h2*3-7,9,15H,8H2,1-2H3,(H,25,27)
InChIKeyGVTXAIHTVKPJJZ-UHFFFAOYSA-N
MW792.69 g/mol
LogP6.71
Rot. Bonds10

About 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-(methoxymethyl)-2-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;4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 158380934) has the molecular formula C36H32F8N8O4 and a molecular weight of 792.69 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;4-(methoxymethyl)-2-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;4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID158380934
Molecular FormulaC36H32F8N8O4
Molecular Weight792.69 g/mol
Exact Mass792.24
IUPAC Name2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-(methoxymethyl)-2-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.COCc1cc(C)nc2c(C(=O)NC(c3ccc(F)cc3)C(F)(F)F)ncn12
InChIInChI=1S/2C18H16F4N4O2/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;1-10-7-13(8-28-2)26-9-23-14(16(26)24-10)17(27)25-15(18(20,21)22)11-3-5-12(19)6-4-11/h2*3-7,9,15H,8H2,1-2H3,(H,25,27)
InChIKeyGVTXAIHTVKPJJZ-UHFFFAOYSA-N
XLogP6.71
TPSA137.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.69
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

1-[3-[7-[4-Amino-6-(methoxymethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68168864
benzyl N-[[(5S)-3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 46212909
N-[[(2S,4S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-phenylmethoxypyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 53374196
benzyl N-[[3-[3,5-difluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 75150438
N-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-4-phenylmethoxypyrrolidin-2-yl]methyl]-N-[2-(4-fluorophenyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 76026145
benzyl N-[[3-[3-fluoro-4-[4-[2-(imidazo[1,2-a]pyrazine-2-carbonylamino)acetyl]piperazin-1-yl]-5-methylphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 91412252
3-[4-[(3-Fluorophenyl)methylamino]-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 118240665
2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987603
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987826
N-(1-cyclopropylethyl)-2-(4-fluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987827
4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987956
N-[(1S)-1-cyclopropylethyl]-2-(3,5-difluorophenyl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988041

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;4-(methoxymethyl)-2-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;4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 158380934) is 2-(methoxymethyl)-4-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-(methoxymethyl)-2-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;4-(methoxymethyl)-2-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;4-(methoxymethyl)-2-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.COCc1cc(C)nc2c(C(=O)NC(c3ccc(F)cc3)C(F)(F)F)ncn12.
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;4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is GVTXAIHTVKPJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H16F4N4O2/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;1-10-7-13(8-28-2)26-9-23-14(16(26)24-10)17(27)25-15(18(20,21)22)11-3-5-12(19)6-4-11/h2*3-7,9,15H,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;4-(methoxymethyl)-2-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;4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 792.69 g/mol, XLogP of 6.71, 10 rotatable bonds, 2 hydrogen bond donors, and 10 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;4-(methoxymethyl)-2-methyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 158380934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).