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

C32H37F6N7O — CID 174319820

IUPAC2-[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
SMILESCC(C)C(NCc1cc(C(F)(F)F)c2cn(-c3cccc(C4(C(F)c5nncn5C)CC(F)(F)C4)c3)c(=O)n2c1)C1CCN(C)C1
InChIInChI=1S/C32H37F6N7O/c1-19(2)26(21-8-9-42(3)14-21)39-12-20-10-24(32(36,37)38)25-15-44(29(46)45(25)13-20)23-7-5-6-22(11-23)30(16-31(34,35)17-30)27(33)28-41-40-18-43(28)4/h5-7,10-11,13,15,18-19,21,26-27,39H,8-9,12,14,16-17H2,1-4H3
InChIKeyLCWOTBVOIXWGTK-UHFFFAOYSA-N
MW649.68 g/mol
LogP5.68
Rot. Bonds9

About 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

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 (PubChem CID 174319820) has the molecular formula C32H37F6N7O and a molecular weight of 649.68 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID174319820
Molecular FormulaC32H37F6N7O
Molecular Weight649.68 g/mol
Exact Mass649.30
IUPAC Name2-[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
SMILESCC(C)C(NCc1cc(C(F)(F)F)c2cn(-c3cccc(C4(C(F)c5nncn5C)CC(F)(F)C4)c3)c(=O)n2c1)C1CCN(C)C1
InChIInChI=1S/C32H37F6N7O/c1-19(2)26(21-8-9-42(3)14-21)39-12-20-10-24(32(36,37)38)25-15-44(29(46)45(25)13-20)23-7-5-6-22(11-23)30(16-31(34,35)17-30)27(33)28-41-40-18-43(28)4/h5-7,10-11,13,15,18-19,21,26-27,39H,8-9,12,14,16-17H2,1-4H3
InChIKeyLCWOTBVOIXWGTK-UHFFFAOYSA-N
XLogP5.68
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.68
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[(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
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-[(R)-(3,3-difluorocyclobutyl)-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[[(3S)-3-methylpiperidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166078980
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(3,3-difluoropiperidin-1-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080412
6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079998
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
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-3-oxo-8-(trifluoromethyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 166079619
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(2-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166079153
2-[3-[(R)-cyclobutyl-(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-6-[(6-methyl-5-oxo-2,6-diazaspiro[3.4]octan-2-yl)methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
CID 166080058
tert-butyl N-[3-[[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]methylamino]propyl]carbamate
CID 171753287

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C(NCc1cc(C(F)(F)F)c2cn(-c3cccc(C4(C(F)c5nncn5C)CC(F)(F)C4)c3)c(=O)n2c1)C1CCN(C)C1.
What is the InChIKey of 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?
The InChIKey is LCWOTBVOIXWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F6N7O/c1-19(2)26(21-8-9-42(3)14-21)39-12-20-10-24(32(36,37)38)25-15-44(29(46)45(25)13-20)23-7-5-6-22(11-23)30(16-31(34,35)17-30)27(33)28-41-40-18-43(28)4/h5-7,10-11,13,15,18-19,21,26-27,39H,8-9,12,14,16-17H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 649.68 g/mol, XLogP of 5.68, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174319820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).