4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C17H12Cl2FN5O — CID 135654699

IUPAC4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(Cl)nn2)c2c1C(c1ccc(Cl)cc1F)CC(=O)N2
InChIInChI=1S/C17H12Cl2FN5O/c1-8-16-11(10-3-2-9(18)6-12(10)20)7-15(26)21-17(16)25(24-8)14-5-4-13(19)22-23-14/h2-6,11H,7H2,1H3,(H,21,26)
InChIKeyQRAGDDSXBGLQNA-UHFFFAOYSA-N
MW392.22 g/mol
LogP3.89
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135654699) has the molecular formula C17H12Cl2FN5O and a molecular weight of 392.22 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135654699
Molecular FormulaC17H12Cl2FN5O
Molecular Weight392.22 g/mol
Exact Mass391.04
IUPAC Name4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(Cl)nn2)c2c1C(c1ccc(Cl)cc1F)CC(=O)N2
InChIInChI=1S/C17H12Cl2FN5O/c1-8-16-11(10-3-2-9(18)6-12(10)20)7-15(26)21-17(16)25(24-8)14-5-4-13(19)22-23-14/h2-6,11H,7H2,1H3,(H,21,26)
InChIKeyQRAGDDSXBGLQNA-UHFFFAOYSA-N
XLogP3.89
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-difluorophenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953421
4-(5-bromo-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655055
(4S)-4-(3-bromo-4-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953656
(4R)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940637
1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655054
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-[2-(trifluoromethyl)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940965
(4R)-1-(6-chloropyridazin-3-yl)-3-methyl-4-pyridin-4-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878821
1-(6-chloropyridazin-3-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655040
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-(4-propan-2-ylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135882917
(4S)-1-(6-chloropyridazin-3-yl)-4-(4-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930844
(4S)-1-(6-chloropyridazin-3-yl)-3-methyl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930877
(4R)-1-(6-chloropyridazin-3-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878765

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135654699) is 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(Cl)nn2)c2c1C(c1ccc(Cl)cc1F)CC(=O)N2.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is QRAGDDSXBGLQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN5O/c1-8-16-11(10-3-2-9(18)6-12(10)20)7-15(26)21-17(16)25(24-8)14-5-4-13(19)22-23-14/h2-6,11H,7H2,1H3,(H,21,26).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 392.22 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1-(6-chloropyridazin-3-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135654699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).