(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

C19H19N5O4 — CID 135878780

IUPAC(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
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(=O)[nH]n2)c(OC)c1
InChIInChI=1S/C19H19N5O4/c1-10-18-13(12-5-4-11(27-2)8-14(12)28-3)9-17(26)20-19(18)24(23-10)15-6-7-16(25)22-21-15/h4-8,13H,9H2,1-3H3,(H,20,26)(H,22,25)/t13-/m0/s1
InChIKeyNVBWHJDGWPYABI-ZDUSSCGKSA-N
MW381.39 g/mol
LogP1.76
Rot. Bonds4

About (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

(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 (PubChem CID 135878780) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135878780
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name(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
SMILESCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(=O)[nH]n2)c(OC)c1
InChIInChI=1S/C19H19N5O4/c1-10-18-13(12-5-4-11(27-2)8-14(12)28-3)9-17(26)20-19(18)24(23-10)15-6-7-16(25)22-21-15/h4-8,13H,9H2,1-3H3,(H,20,26)(H,22,25)/t13-/m0/s1
InChIKeyNVBWHJDGWPYABI-ZDUSSCGKSA-N
XLogP1.76
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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
(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-chlorophenyl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878712
(4S)-1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871223
(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
(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
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
(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
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)-4-(2,5-dimethoxyphenyl)-3-methyl-1-(6-piperidin-1-ylpyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136737380

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(=O)[nH]n2)c(OC)c1.
What is the InChIKey of (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?
The InChIKey is NVBWHJDGWPYABI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-10-18-13(12-5-4-11(27-2)8-14(12)28-3)9-17(26)20-19(18)24(23-10)15-6-7-16(25)22-21-15/h4-8,13H,9H2,1-3H3,(H,20,26)(H,22,25)/t13-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 381.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135878780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).