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

C17H14FN5O2 — CID 135655411

IUPAC4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C17H14FN5O2/c1-9-16-12(10-3-2-4-11(18)7-10)8-15(25)19-17(16)23(22-9)13-5-6-14(24)21-20-13/h2-7,12H,8H2,1H3,(H,19,25)(H,21,24)
InChIKeyRPNGFHFKRXBZTP-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.88
Rot. Bonds2

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

4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655411) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135655411
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1cccc(F)c1)CC(=O)N2
InChIInChI=1S/C17H14FN5O2/c1-9-16-12(10-3-2-4-11(18)7-10)8-15(25)19-17(16)23(22-9)13-5-6-14(24)21-20-13/h2-7,12H,8H2,1H3,(H,19,25)(H,21,24)
InChIKeyRPNGFHFKRXBZTP-UHFFFAOYSA-N
XLogP1.88
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2,5-difluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878816
(4R)-4-(4-hydroxyphenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878851
3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-quinoxalin-6-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654865
(4S)-4-(2,3-dichlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878799
(4S)-4-(2,4-dichlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878751
(4S)-4-(2-chlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878712
(4R)-4-(2,4-dimethoxyphenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878780
(4S)-3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878854
(4R)-4-[4-methoxy-3-(2-methylpropoxy)phenyl]-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878737
3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655065
(4S)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878797
(4R)-4-(3-fluorophenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793560

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135655411) is 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1cccc(F)c1)CC(=O)N2.
What is the InChIKey of 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is RPNGFHFKRXBZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-9-16-12(10-3-2-4-11(18)7-10)8-15(25)19-17(16)23(22-9)13-5-6-14(24)21-20-13/h2-7,12H,8H2,1H3,(H,19,25)(H,21,24).
What are the key properties of 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 339.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).