5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C24H25ClF3N5O3 — CID 138471713

About 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 138471713) has the molecular formula C24H25ClF3N5O3 and a molecular weight of 523.94 g/mol. Its IUPAC name is 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

• Compound Name: 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
• PubChem CID: 138471713
• Molecular Formula: C24H25ClF3N5O3
• Molecular Weight: 523.94 g/mol
• Exact Mass: 523.16
• IUPAC Name: 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
• SMILES: CC(c1ccccc1C(F)(F)F)n1[nH]c(=O)c2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
• InChI: InChI=1S/C24H25ClF3N5O3/c1-14(15-6-2-3-7-17(15)24(26,27)28)32-18-9-10-31(13-16(18)22(34)30-32)19-12-29-33(23(35)21(19)25)20-8-4-5-11-36-20/h2-3,6-7,12,14,20H,4-5,8-11,13H2,1H3,(H,30,34)
• InChIKey: ARZCWHYNEDVPJB-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 85.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.94
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?

The IUPAC name of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 138471713) is 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

What is the SMILES notation for 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?

The canonical SMILES for 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CC(c1ccccc1C(F)(F)F)n1[nH]c(=O)c2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2.

What is the InChIKey of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?

The InChIKey is ARZCWHYNEDVPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3/c1-14(15-6-2-3-7-17(15)24(26,27)28)32-18-9-10-31(13-16(18)22(34)30-32)19-12-29-33(23(35)21(19)25)20-8-4-5-11-36-20/h2-3,6-7,12,14,20H,4-5,8-11,13H2,1H3,(H,30,34).

What are the key properties of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?

5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 523.94 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138471713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).