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

C24H25ClF3N5O3 — CID 138472060

IUPAC5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCn1c(=O)c2c(n1Cc1ccccc1C(F)(F)F)CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
InChIInChI=1S/C24H25ClF3N5O3/c1-30-22(34)16-14-31(19-12-29-33(23(35)21(19)25)20-8-4-5-11-36-20)10-9-18(16)32(30)13-15-6-2-3-7-17(15)24(26,27)28/h2-3,6-7,12,20H,4-5,8-11,13-14H2,1H3
InChIKeyPBQDDUVHCVRPDA-UHFFFAOYSA-N
MW523.94 g/mol
LogP3.73
Rot. Bonds4

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

5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138472060) 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]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID138472060
Molecular FormulaC24H25ClF3N5O3
Molecular Weight523.94 g/mol
Exact Mass523.16
IUPAC Name5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCn1c(=O)c2c(n1Cc1ccccc1C(F)(F)F)CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2
InChIInChI=1S/C24H25ClF3N5O3/c1-30-22(34)16-14-31(19-12-29-33(23(35)21(19)25)20-8-4-5-11-36-20)10-9-18(16)32(30)13-15-6-2-3-7-17(15)24(26,27)28/h2-3,6-7,12,20H,4-5,8-11,13-14H2,1H3
InChIKeyPBQDDUVHCVRPDA-UHFFFAOYSA-N
XLogP3.73
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.94
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one with MolForge

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Related Compounds

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471524
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471528
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
4-chloro-5-[(2R)-4-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2-methyl-5-oxopiperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 138471571
5-[5-Methyl-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-4-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 138471637
5-[5-Chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471646
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
4-Chloro-5-[4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 138471836
4-Methyl-2-(oxan-2-yl)-5-[2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyridin-4-yl]pyridazin-3-one
CID 138471868
5-Chloro-2-(oxan-2-yl)-4-[3-oxo-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-one
CID 138471894
5-[1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4,6,7,7a-tetrahydro-3aH-triazolo[4,5-c]pyridin-5-yl]-2-(oxan-2-yl)-3-oxopyridazine-4-carbonitrile
CID 138471899
4-Chloro-2-(oxan-2-yl)-5-[3-oxo-4-[1-[2-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]pyridazin-3-one
CID 138471951

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (CID 138472060) is 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is Cn1c(=O)c2c(n1Cc1ccccc1C(F)(F)F)CCN(c1cnn(C3CCCCO3)c(=O)c1Cl)C2.
What is the InChIKey of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is PBQDDUVHCVRPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3/c1-30-22(34)16-14-31(19-12-29-33(23(35)21(19)25)20-8-4-5-11-36-20)10-9-18(16)32(30)13-15-6-2-3-7-17(15)24(26,27)28/h2-3,6-7,12,20H,4-5,8-11,13-14H2,1H3.
What are the key properties of 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 523.94 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-2-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138472060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).