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

C21H17N5O4 — CID 135655345

IUPAC3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc2occ(C3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)c2c1
InChIInChI=1S/C21H17N5O4/c1-10-3-4-15-13(7-10)20(29)14(9-30-15)12-8-18(28)22-21-19(12)11(2)25-26(21)16-5-6-17(27)24-23-16/h3-7,9,12H,8H2,1-2H3,(H,22,28)(H,24,27)
InChIKeyNNMJUXVQXSZTOB-UHFFFAOYSA-N
MW403.40 g/mol
LogP2.15
Rot. Bonds2

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

3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135655345) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135655345
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC Name3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc2occ(C3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)c2c1
InChIInChI=1S/C21H17N5O4/c1-10-3-4-15-13(7-10)20(29)14(9-30-15)12-8-18(28)22-21-19(12)11(2)25-26(21)16-5-6-17(27)24-23-16/h3-7,9,12H,8H2,1-2H3,(H,22,28)(H,24,27)
InChIKeyNNMJUXVQXSZTOB-UHFFFAOYSA-N
XLogP2.15
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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
(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
(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
(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
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-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)-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
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135654913
(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)-1-(6-chloropyridazin-3-yl)-4-(2,5-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135940637

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135655345) is 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc2occ(C3CC(=O)Nc4c3c(C)nn4-c3ccc(=O)[nH]n3)c(=O)c2c1.
What is the InChIKey of 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is NNMJUXVQXSZTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c1-10-3-4-15-13(7-10)20(29)14(9-30-15)12-8-18(28)22-21-19(12)11(2)25-26(21)16-5-6-17(27)24-23-16/h3-7,9,12H,8H2,1-2H3,(H,22,28)(H,24,27).
What are the key properties of 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 403.40 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-methyl-4-oxochromen-3-yl)-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135655345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).