N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide

C25H27F3N6O3S — CID 166078900

IUPACN-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)S(C)(=O)=O
InChIInChI=1S/C25H27F3N6O3S/c1-31-15-29-30-23(31)22(17-6-4-7-17)18-8-5-9-19(11-18)33-14-21-20(25(26,27)28)10-16(13-34(21)24(33)35)12-32(2)38(3,36)37/h5,8-11,13-15,17,22H,4,6-7,12H2,1-3H3/t22-/m1/s1
InChIKeyBEKGKMWATCCTPK-JOCHJYFZSA-N
MW548.59 g/mol
LogP3.56
Rot. Bonds7

About N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide

N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 166078900) has the molecular formula C25H27F3N6O3S and a molecular weight of 548.59 g/mol. Its IUPAC name is N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide
PubChem CID166078900
Molecular FormulaC25H27F3N6O3S
Molecular Weight548.59 g/mol
Exact Mass548.18
IUPAC NameN-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)S(C)(=O)=O
InChIInChI=1S/C25H27F3N6O3S/c1-31-15-29-30-23(31)22(17-6-4-7-17)18-8-5-9-19(11-18)33-14-21-20(25(26,27)28)10-16(13-34(21)24(33)35)12-32(2)38(3,36)37/h5,8-11,13-15,17,22H,4,6-7,12H2,1-3H3/t22-/m1/s1
InChIKeyBEKGKMWATCCTPK-JOCHJYFZSA-N
XLogP3.56
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.59
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide 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-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide (CID 166078900) is N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide is CN(Cc1cc(C(F)(F)F)c2cn(-c3cccc([C@H](c4nncn4C)C4CCC4)c3)c(=O)n2c1)S(C)(=O)=O.
What is the InChIKey of N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is BEKGKMWATCCTPK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H27F3N6O3S/c1-31-15-29-30-23(31)22(17-6-4-7-17)18-8-5-9-19(11-18)33-14-21-20(25(26,27)28)10-16(13-34(21)24(33)35)12-32(2)38(3,36)37/h5,8-11,13-15,17,22H,4,6-7,12H2,1-3H3/t22-/m1/s1.
What are the key properties of N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide?
N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 548.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166078900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).