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

C23H20N6O3 — CID 135655065

IUPAC3-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
SMILESCc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1ccc(OCc3ccccn3)cc1)CC(=O)N2
InChIInChI=1S/C23H20N6O3/c1-14-22-18(15-5-7-17(8-6-15)32-13-16-4-2-3-11-24-16)12-21(31)25-23(22)29(28-14)19-9-10-20(30)27-26-19/h2-11,18H,12-13H2,1H3,(H,25,31)(H,27,30)
InChIKeyLWNDJRTWJWUBIY-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.71
Rot. Bonds5

About 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

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 (PubChem CID 135655065) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID135655065
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name3-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
SMILESCc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1ccc(OCc3ccccn3)cc1)CC(=O)N2
InChIInChI=1S/C23H20N6O3/c1-14-22-18(15-5-7-17(8-6-15)32-13-16-4-2-3-11-24-16)12-21(31)25-23(22)29(28-14)19-9-10-20(30)27-26-19/h2-11,18H,12-13H2,1H3,(H,25,31)(H,27,30)
InChIKeyLWNDJRTWJWUBIY-UHFFFAOYSA-N
XLogP2.71
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(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-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
(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)-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
(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-[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
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
3-methyl-4-[4-(2-methylpropoxy)phenyl]-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135655860
(4S)-1,3-dimethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136669758
(4R)-1,3-dimethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136669757
(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(-c2ccc(=O)[nH]n2)c2c1C(c1ccc(OCc3ccccn3)cc1)CC(=O)N2.
What is the InChIKey of 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?
The InChIKey is LWNDJRTWJWUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-14-22-18(15-5-7-17(8-6-15)32-13-16-4-2-3-11-24-16)12-21(31)25-23(22)29(28-14)19-9-10-20(30)27-26-19/h2-11,18H,12-13H2,1H3,(H,25,31)(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 428.45 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135655065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).