5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one

C20H21F3N4O2 — CID 142498956

About 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one

5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one (PubChem CID 142498956) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one.

Molecular Properties

• Compound Name: 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one
• PubChem CID: 142498956
• Molecular Formula: C20H21F3N4O2
• Molecular Weight: 406.41 g/mol
• Exact Mass: 406.16
• IUPAC Name: 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one
• SMILES: CN1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2CC1=O
• InChI: InChI=1S/C20H21F3N4O2/c1-26-11-14-16(10-17(26)28)24-25-18(14)19(29)27-8-6-12(7-9-27)13-4-2-3-5-15(13)20(21,22)23/h2-5,12H,6-11H2,1H3,(H,24,25)
• InChIKey: PRRYTRBLWAQYLJ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 69.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.41
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one?

The IUPAC name of 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one (CID 142498956) is 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one.

What is the SMILES notation for 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one?

The canonical SMILES for 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one is CN1Cc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2CC1=O.

What is the InChIKey of 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one?

The InChIKey is PRRYTRBLWAQYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-26-11-14-16(10-17(26)28)24-25-18(14)19(29)27-8-6-12(7-9-27)13-4-2-3-5-15(13)20(21,22)23/h2-5,12H,6-11H2,1H3,(H,24,25).

What are the key properties of 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one?

5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one has a molecular weight of 406.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-4,7-dihydro-1H-pyrazolo[4,3-c]pyridin-6-one is sourced from PubChem (CID 142498956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).