N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide

C23H19F3N6O — CID 131987871

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc(-c3ncccn3)c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C23H19F3N6O/c1-13-10-17(15-4-2-5-16(11-15)20-27-8-3-9-28-20)30-21-18(29-12-32(13)21)22(33)31-19(14-6-7-14)23(24,25)26/h2-5,8-12,14,19H,6-7H2,1H3,(H,31,33)
InChIKeyMAMDONFJUJNJJY-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.23
Rot. Bonds5

About N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987871) has the molecular formula C23H19F3N6O and a molecular weight of 452.44 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987871
Molecular FormulaC23H19F3N6O
Molecular Weight452.44 g/mol
Exact Mass452.16
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1cc(-c2cccc(-c3ncccn3)c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12
InChIInChI=1S/C23H19F3N6O/c1-13-10-17(15-4-2-5-16(11-15)20-27-8-3-9-28-20)30-21-18(29-12-32(13)21)22(33)31-19(14-6-7-14)23(24,25)26/h2-5,8-12,14,19H,6-7H2,1H3,(H,31,33)
InChIKeyMAMDONFJUJNJJY-UHFFFAOYSA-N
XLogP4.23
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide 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

N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methyl-2-(1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987672
2-amino-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988102
2-(3-cyano-5-methylfuran-2-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987952
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
N-(dicyclopropylmethyl)-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;molecular hydrogen
CID 145382234
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 159924588
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987993
2-(2-chloro-4-pyridinyl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988012
2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987787
N-(1-cyclopropylethyl)-2-(5-fluoro-3-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131988070
2-(1,3-benzothiazol-5-yl)-N-(1-cyclopropylethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131997911
2-(1,3-benzodioxol-4-yl)-N-[(1R)-1-cyclopropylethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131987676

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 131987871) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1cc(-c2cccc(-c3ncccn3)c2)nc2c(C(=O)NC(C3CC3)C(F)(F)F)ncn12.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is MAMDONFJUJNJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O/c1-13-10-17(15-4-2-5-16(11-15)20-27-8-3-9-28-20)30-21-18(29-12-32(13)21)22(33)31-19(14-6-7-14)23(24,25)26/h2-5,8-12,14,19H,6-7H2,1H3,(H,31,33).
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(3-pyrimidin-2-ylphenyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).