5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide

C20H20N4O5 — CID 88564752

IUPAC5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)Oc1ccc(-c2cc3c(O)c(C(=O)NCC=O)c(=O)n(C)c3nn2)cc1
InChIInChI=1S/C20H20N4O5/c1-11(2)29-13-6-4-12(5-7-13)15-10-14-17(26)16(19(27)21-8-9-25)20(28)24(3)18(14)23-22-15/h4-7,9-11,26H,8H2,1-3H3,(H,21,27)
InChIKeyUEUSGWKPGBQSLI-UHFFFAOYSA-N
MW396.40 g/mol
LogP1.42
Rot. Bonds6

About 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide

5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide (PubChem CID 88564752) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide.

Molecular Properties

Compound Name5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide
PubChem CID88564752
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide
SMILESCC(C)Oc1ccc(-c2cc3c(O)c(C(=O)NCC=O)c(=O)n(C)c3nn2)cc1
InChIInChI=1S/C20H20N4O5/c1-11(2)29-13-6-4-12(5-7-13)15-10-14-17(26)16(19(27)21-8-9-25)20(28)24(3)18(14)23-22-15/h4-7,9-11,26H,8H2,1-3H3,(H,21,27)
InChIKeyUEUSGWKPGBQSLI-UHFFFAOYSA-N
XLogP1.42
TPSA123.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide?
The IUPAC name of 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide (CID 88564752) is 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide.
What is the SMILES notation for 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide?
The canonical SMILES for 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide is CC(C)Oc1ccc(-c2cc3c(O)c(C(=O)NCC=O)c(=O)n(C)c3nn2)cc1.
What is the InChIKey of 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide?
The InChIKey is UEUSGWKPGBQSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-11(2)29-13-6-4-12(5-7-13)15-10-14-17(26)16(19(27)21-8-9-25)20(28)24(3)18(14)23-22-15/h4-7,9-11,26H,8H2,1-3H3,(H,21,27).
What are the key properties of 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide?
5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide has a molecular weight of 396.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methyl-7-oxo-N-(2-oxoethyl)-3-(4-propan-2-yloxyphenyl)pyrido[2,3-c]pyridazine-6-carboxamide is sourced from PubChem (CID 88564752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).