2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C31H34F7N7O2 — CID 171510462

IUPAC2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC(C)[C@H]1CN(CC(F)(F)F)CCN1Cc1cc(C(F)(F)F)c2cn(-c3cccc(C4([C@H](F)c5nncn5C)COC4)c3)c(=O)n2c1
InChIInChI=1S/C31H34F7N7O2/c1-19(2)24-13-42(15-30(33,34)35)7-8-43(24)11-20-9-23(31(36,37)38)25-14-44(28(46)45(25)12-20)22-6-4-5-21(10-22)29(16-47-17-29)26(32)27-40-39-18-41(27)3/h4-6,9-10,12,14,18-19,24,26H,7-8,11,13,15-17H2,1-3H3/t24-,26-/m1/s1
InChIKeyCXQSAPJJQHZTEB-AOYPEHQESA-N
MW669.65 g/mol
LogP4.92
Rot. Bonds8

About 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 171510462) has the molecular formula C31H34F7N7O2 and a molecular weight of 669.65 g/mol. Its IUPAC name is 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
PubChem CID171510462
Molecular FormulaC31H34F7N7O2
Molecular Weight669.65 g/mol
Exact Mass669.27
IUPAC Name2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
SMILESCC(C)[C@H]1CN(CC(F)(F)F)CCN1Cc1cc(C(F)(F)F)c2cn(-c3cccc(C4([C@H](F)c5nncn5C)COC4)c3)c(=O)n2c1
InChIInChI=1S/C31H34F7N7O2/c1-19(2)24-13-42(15-30(33,34)35)7-8-43(24)11-20-9-23(31(36,37)38)25-14-44(28(46)45(25)12-20)22-6-4-5-21(10-22)29(16-47-17-29)26(32)27-40-39-18-41(27)3/h4-6,9-10,12,14,18-19,24,26H,7-8,11,13,15-17H2,1-3H3/t24-,26-/m1/s1
InChIKeyCXQSAPJJQHZTEB-AOYPEHQESA-N
XLogP4.92
TPSA72.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500669.65
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one 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

6-(2-azabicyclo[2.1.1]hexan-2-ylmethyl)-2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510526
2-[3-[3-[(R)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[3-(hydroxymethyl)-3-methylazetidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510502
2-[3-[3,3-difluoro-1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-[(4-methylpiperazin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171510465
2-[3-[3-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 175476295
2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-4-(oxetan-3-yl)-2-propan-2-ylpiperazin-1-yl]methyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167404259
2-[3-[3,3-difluoro-1-[fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]phenyl]-6-[[[2-methyl-1-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 174319820
2-[3-[cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171752726
6-[(4-fluoropiperidin-1-yl)methyl]-2-[3-[5-(4-methyl-1,2,4-triazol-3-yl)spiro[2.3]hexan-5-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079866
3-[[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]methyl]-7-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-9-(trifluoromethyl)quinolizin-4-one
CID 174319716
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(2S)-2-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080447
6-(2-azabicyclo[2.1.1]hexan-2-ylmethyl)-2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-4-(trifluoromethyl)-3H-isoindol-1-one
CID 164869000
6-[[(3R)-3-isocyanopyrrolidin-1-yl]methyl]-2-[3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 171753644

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The IUPAC name of 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 171510462) is 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.
What is the SMILES notation for 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The canonical SMILES for 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is CC(C)[C@H]1CN(CC(F)(F)F)CCN1Cc1cc(C(F)(F)F)c2cn(-c3cccc(C4([C@H](F)c5nncn5C)COC4)c3)c(=O)n2c1.
What is the InChIKey of 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
The InChIKey is CXQSAPJJQHZTEB-AOYPEHQESA-N. The full InChI is InChI=1S/C31H34F7N7O2/c1-19(2)24-13-42(15-30(33,34)35)7-8-43(24)11-20-9-23(31(36,37)38)25-14-44(28(46)45(25)12-20)22-6-4-5-21(10-22)29(16-47-17-29)26(32)27-40-39-18-41(27)3/h4-6,9-10,12,14,18-19,24,26H,7-8,11,13,15-17H2,1-3H3/t24-,26-/m1/s1.
What are the key properties of 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?
2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 669.65 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(S)-fluoro-(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]phenyl]-6-[[(2S)-2-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 171510462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).