6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

C29H32F3N5O2 — CID 166080192

About 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one

6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (PubChem CID 166080192) has the molecular formula C29H32F3N5O2 and a molecular weight of 539.60 g/mol. Its IUPAC name is 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

Molecular Properties

• Compound Name: 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• PubChem CID: 166080192
• Molecular Formula: C29H32F3N5O2
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.25
• IUPAC Name: 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one
• SMILES: Cc1cn[nH]c1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)c1)C1COC1
• InChI: InChI=1S/C29H32F3N5O2/c1-18-5-4-8-35(12-18)13-20-9-24(29(30,31)32)25-15-36(28(38)37(25)14-20)23-7-3-6-21(10-23)26(22-16-39-17-22)27-19(2)11-33-34-27/h3,6-7,9-11,14-15,18,22,26H,4-5,8,12-13,16-17H2,1-2H3,(H,33,34)/t18-,26?/m0/s1
• InChIKey: YCXSYQYOBDZRJG-MDYZWHIJSA-N
• XLogP: 5.15
• TPSA: 67.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.60
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The IUPAC name of 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one (CID 166080192) is 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one.

What is the SMILES notation for 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The canonical SMILES for 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is Cc1cn[nH]c1C(c1cccc(-n2cc3c(C(F)(F)F)cc(CN4CCC[C@H](C)C4)cn3c2=O)c1)C1COC1.

What is the InChIKey of 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

The InChIKey is YCXSYQYOBDZRJG-MDYZWHIJSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c1-18-5-4-8-35(12-18)13-20-9-24(29(30,31)32)25-15-36(28(38)37(25)14-20)23-7-3-6-21(10-23)26(22-16-39-17-22)27-19(2)11-33-34-27/h3,6-7,9-11,14-15,18,22,26H,4-5,8,12-13,16-17H2,1-2H3,(H,33,34)/t18-,26?/m0/s1.

What are the key properties of 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one?

6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one has a molecular weight of 539.60 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[3-[(4-methyl-1H-pyrazol-5-yl)-(oxetan-3-yl)methyl]phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyridin-3-one is sourced from PubChem (CID 166080192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).