4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one

C23H23ClF2N6O3 — CID 138471699

IUPAC4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1nn(Cc2ccccc2C(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C23H23ClF2N6O3/c24-21-19(9-27-28-23(21)34)30-6-5-18-16(11-30)17(12-31-7-8-35-13-20(31)33)29-32(18)10-14-3-1-2-4-15(14)22(25)26/h1-4,9,22H,5-8,10-13H2,(H,28,34)
InChIKeyTVBZFRQAWQPDOQ-UHFFFAOYSA-N
MW504.93 g/mol
LogP2.53
Rot. Bonds6

About 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one

4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one (PubChem CID 138471699) has the molecular formula C23H23ClF2N6O3 and a molecular weight of 504.93 g/mol. Its IUPAC name is 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one
PubChem CID138471699
Molecular FormulaC23H23ClF2N6O3
Molecular Weight504.93 g/mol
Exact Mass504.15
IUPAC Name4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1nn(Cc2ccccc2C(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C23H23ClF2N6O3/c24-21-19(9-27-28-23(21)34)30-6-5-18-16(11-30)17(12-31-7-8-35-13-20(31)33)29-32(18)10-14-3-1-2-4-15(14)22(25)26/h1-4,9,22H,5-8,10-13H2,(H,28,34)
InChIKeyTVBZFRQAWQPDOQ-UHFFFAOYSA-N
XLogP2.53
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.93
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one with MolForge

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Related Compounds

5-chloro-4-[1-[[2-(difluoromethyl)phenyl]methyl]-3-(morpholin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138484080
4-chloro-5-[1-[[2-(difluoromethyl)phenyl]methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(oxan-2-yl)pyridazin-3-one
CID 138471755
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 168818698
4-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-chloro-1H-pyridazin-6-one
CID 138471777
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-[fluoro(iodo)methyl]phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
CID 138484294
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 168818836
5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138483892
5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818874
4-[5-amino-4-[amino-[1-[2-(difluoromethyl)phenyl]ethyl]amino]-3,6-dihydro-2H-pyridin-1-yl]-5-chloro-1H-pyridazin-6-one
CID 142546851
5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818831
5-chloro-4-[1-[1-[2-(trifluoromethyl)phenyl]ethyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138471903
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one?
The IUPAC name of 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one (CID 138471699) is 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one.
What is the SMILES notation for 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one?
The canonical SMILES for 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one is O=C1COCCN1Cc1nn(Cc2ccccc2C(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2.
What is the InChIKey of 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one?
The InChIKey is TVBZFRQAWQPDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N6O3/c24-21-19(9-27-28-23(21)34)30-6-5-18-16(11-30)17(12-31-7-8-35-13-20(31)33)29-32(18)10-14-3-1-2-4-15(14)22(25)26/h1-4,9,22H,5-8,10-13H2,(H,28,34).
What are the key properties of 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one?
4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one has a molecular weight of 504.93 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]morpholin-3-one is sourced from PubChem (CID 138471699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).