2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

C18H17F3N4O2 — CID 131987787

IUPAC2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOc1cccc(-c2cc(C)n3cnc(C(=O)N[C@H](C)C(F)(F)F)c3n2)c1
InChIInChI=1S/C18H17F3N4O2/c1-10-7-14(12-5-4-6-13(8-12)27-3)24-16-15(22-9-25(10)16)17(26)23-11(2)18(19,20)21/h4-9,11H,1-3H3,(H,23,26)/t11-/m1/s1
InChIKeySAFZKTVINGNHTB-LLVKDONJSA-N
MW378.35 g/mol
LogP3.39
Rot. Bonds4

About 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987787) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987787
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCOc1cccc(-c2cc(C)n3cnc(C(=O)N[C@H](C)C(F)(F)F)c3n2)c1
InChIInChI=1S/C18H17F3N4O2/c1-10-7-14(12-5-4-6-13(8-12)27-3)24-16-15(22-9-25(10)16)17(26)23-11(2)18(19,20)21/h4-9,11H,1-3H3,(H,23,26)/t11-/m1/s1
InChIKeySAFZKTVINGNHTB-LLVKDONJSA-N
XLogP3.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987653
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
3-chloro-5-(3-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464526
3-chloro-5-(3-methoxyphenyl)-N-[1-(4-methylphenyl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464358
N-[(1S)-1-cyclopropylethyl]-2-(3-fluorophenoxy)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987900
2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988102
3-chloro-N-cyclopropyl-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464292
3-chloro-N-(2-hydroxyphenyl)-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464255
N-butyl-3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464528
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987791
2-(3-cyanophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131988138

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987787) is 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is COc1cccc(-c2cc(C)n3cnc(C(=O)N[C@H](C)C(F)(F)F)c3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is SAFZKTVINGNHTB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-10-7-14(12-5-4-6-13(8-12)27-3)24-16-15(22-9-25(10)16)17(26)23-11(2)18(19,20)21/h4-9,11H,1-3H3,(H,23,26)/t11-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).