(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide

C27H26F3N7O2 — CID 135338275

About (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide

(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide (PubChem CID 135338275) has the molecular formula C27H26F3N7O2 and a molecular weight of 537.55 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide
• PubChem CID: 135338275
• Molecular Formula: C27H26F3N7O2
• Molecular Weight: 537.55 g/mol
• Exact Mass: 537.21
• IUPAC Name: (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide
• SMILES: CN(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(C(F)(F)F)nccn12
• InChI: InChI=1S/C27H26F3N7O2/c1-35(2)26(39)36-15-6-4-7-19(36)24-34-21(22-23(27(28,29)30)32-14-16-37(22)24)17-9-11-18(12-10-17)25(38)33-20-8-3-5-13-31-20/h3,5,8-14,16,19H,4,6-7,15H2,1-2H3,(H,31,33,38)/t19-/m0/s1
• InChIKey: FVQPPVMSCHMIKP-IBGZPJMESA-N
• XLogP: 5.27
• TPSA: 95.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.55
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

The IUPAC name of (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide (CID 135338275) is (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

The canonical SMILES for (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide is CN(C)C(=O)N1CCCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(C(F)(F)F)nccn12.

What is the InChIKey of (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

The InChIKey is FVQPPVMSCHMIKP-IBGZPJMESA-N. The full InChI is InChI=1S/C27H26F3N7O2/c1-35(2)26(39)36-15-6-4-7-19(36)24-34-21(22-23(27(28,29)30)32-14-16-37(22)24)17-9-11-18(12-10-17)25(38)33-20-8-3-5-13-31-20/h3,5,8-14,16,19H,4,6-7,15H2,1-2H3,(H,31,33,38)/t19-/m0/s1.

What are the key properties of (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide?

(2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide has a molecular weight of 537.55 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N,N-dimethyl-2-[1-[4-(pyridin-2-ylcarbamoyl)phenyl]-8-(trifluoromethyl)imidazo[1,5-a]pyrazin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 135338275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).