N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide

C17H16F3N5OS — CID 131987791

IUPACN-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1sncc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C17H16F3N5OS/c1-8-5-12(11-6-22-27-9(11)2)23-15-13(21-7-25(8)15)16(26)24-14(10-3-4-10)17(18,19)20/h5-7,10,14H,3-4H2,1-2H3,(H,24,26)
InChIKeyXGBOYBDUUIZYSF-UHFFFAOYSA-N
MW395.41 g/mol
LogP3.54
Rot. Bonds4

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

N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 131987791) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID131987791
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC NameN-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESCc1sncc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1
InChIInChI=1S/C17H16F3N5OS/c1-8-5-12(11-6-22-27-9(11)2)23-15-13(21-7-25(8)15)16(26)24-14(10-3-4-10)17(18,19)20/h5-7,10,14H,3-4H2,1-2H3,(H,24,26)
InChIKeyXGBOYBDUUIZYSF-UHFFFAOYSA-N
XLogP3.54
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 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) is N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is Cc1sncc1-c1cc(C)n2cnc(C(=O)NC(C3CC3)C(F)(F)F)c2n1.
What is the InChIKey of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is XGBOYBDUUIZYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c1-8-5-12(11-6-22-27-9(11)2)23-15-13(21-7-25(8)15)16(26)24-14(10-3-4-10)17(18,19)20/h5-7,10,14H,3-4H2,1-2H3,(H,24,26).
What are the key properties of N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide?
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 395.41 g/mol, XLogP of 3.54, 4 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-(5-methyl-1,2-thiazol-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 131987791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).