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

C24H24ClF4N5O3 — CID 138471564

IUPAC5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC(c1ccc(F)cc1C(F)(F)F)n1[nH]c(=O)c2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
InChIInChI=1S/C24H24ClF4N5O3/c1-13(15-6-5-14(26)10-17(15)24(27,28)29)33-18-7-8-32(12-16(18)22(35)31-33)19-11-30-34(23(36)21(19)25)20-4-2-3-9-37-20/h5-6,10-11,13,20H,2-4,7-9,12H2,1H3,(H,31,35)
InChIKeyRCAIWWBHOPURRG-UHFFFAOYSA-N
MW541.93 g/mol
LogP4.42
Rot. Bonds4

About 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 138471564) has the molecular formula C24H24ClF4N5O3 and a molecular weight of 541.93 g/mol. Its IUPAC name is 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID138471564
Molecular FormulaC24H24ClF4N5O3
Molecular Weight541.93 g/mol
Exact Mass541.15
IUPAC Name5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC(c1ccc(F)cc1C(F)(F)F)n1[nH]c(=O)c2c1CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
InChIInChI=1S/C24H24ClF4N5O3/c1-13(15-6-5-14(26)10-17(15)24(27,28)29)33-18-7-8-32(12-16(18)22(35)31-33)19-11-30-34(23(36)21(19)25)20-4-2-3-9-37-20/h5-6,10-11,13,20H,2-4,7-9,12H2,1H3,(H,31,35)
InChIKeyRCAIWWBHOPURRG-UHFFFAOYSA-N
XLogP4.42
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.93
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 138471564) is 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-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-[4-fluoro-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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is CC(c1ccc(F)cc1C(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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is RCAIWWBHOPURRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF4N5O3/c1-13(15-6-5-14(26)10-17(15)24(27,28)29)33-18-7-8-32(12-16(18)22(35)31-33)19-11-30-34(23(36)21(19)25)20-4-2-3-9-37-20/h5-6,10-11,13,20H,2-4,7-9,12H2,1H3,(H,31,35).
What are the key properties of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 541.93 g/mol, XLogP of 4.42, 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-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138471564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).