2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C26H26F6N6O — CID 178155724

About 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 178155724) has the molecular formula C26H26F6N6O and a molecular weight of 552.52 g/mol. Its IUPAC name is 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 178155724
• Molecular Formula: C26H26F6N6O
• Molecular Weight: 552.52 g/mol
• Exact Mass: 552.21
• IUPAC Name: 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: Cn1cnnc1C(C)(F)[C@](C)(F)c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC[C@H](F)C4)cn3c2=O)c1
• InChI: InChI=1S/C26H26F6N6O/c1-24(28,25(2,29)22-34-33-15-35(22)3)17-5-4-6-19(10-17)37-14-21-20(26(30,31)32)9-16(12-38(21)23(37)39)11-36-8-7-18(27)13-36/h4-6,9-10,12,14-15,18H,7-8,11,13H2,1-3H3/t18-,24+,25?/m0/s1
• InChIKey: OSYVDUSRIXQFIK-HKNRPGJNSA-N
• XLogP: 4.85
• TPSA: 60.36 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.52
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 178155724) is 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cn1cnnc1C(C)(F)[C@](C)(F)c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CC[C@H](F)C4)cn3c2=O)c1.

What is the InChIKey of 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is OSYVDUSRIXQFIK-HKNRPGJNSA-N. The full InChI is InChI=1S/C26H26F6N6O/c1-24(28,25(2,29)22-34-33-15-35(22)3)17-5-4-6-19(10-17)37-14-21-20(26(30,31)32)9-16(12-38(21)23(37)39)11-36-8-7-18(27)13-36/h4-6,9-10,12,14-15,18H,7-8,11,13H2,1-3H3/t18-,24+,25?/m0/s1.

What are the key properties of 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 552.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2R)-2,3-difluoro-3-(4-methyl-1,2,4-triazol-3-yl)butan-2-yl]phenyl]-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 178155724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).