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

C19H15F3N4O — CID 156735263

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

1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 156735263) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

• Compound Name: 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
• PubChem CID: 156735263
• Molecular Formula: C19H15F3N4O
• Molecular Weight: 372.35 g/mol
• Exact Mass: 372.12
• IUPAC Name: 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one
• SMILES: O=C1NCCc2c1cnn2-c1ccnc(Cc2cccc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C19H15F3N4O/c20-19(21,22)13-3-1-2-12(8-13)9-14-10-15(4-6-23-14)26-17-5-7-24-18(27)16(17)11-25-26/h1-4,6,8,10-11H,5,7,9H2,(H,24,27)
• InChIKey: ZTLTUEHNEASXJU-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.35
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one (CID 156735263) is 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one.

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

The canonical SMILES for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is O=C1NCCc2c1cnn2-c1ccnc(Cc2cccc(C(F)(F)F)c2)c1.

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

The InChIKey is ZTLTUEHNEASXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)13-3-1-2-12(8-13)9-14-10-15(4-6-23-14)26-17-5-7-24-18(27)16(17)11-25-26/h1-4,6,8,10-11H,5,7,9H2,(H,24,27).

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

1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 372.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-4-pyridinyl]-6,7-dihydro-5H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 156735263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).