1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide

C17H17N5O3 — CID 166429000

IUPAC1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide
SMILESO=C1NCc2ccc(CNC(=O)N3CCc4c(cn[nH]c4=O)C3)cc21
InChIInChI=1S/C17H17N5O3/c23-15-14-5-10(1-2-11(14)7-18-15)6-19-17(25)22-4-3-13-12(9-22)8-20-21-16(13)24/h1-2,5,8H,3-4,6-7,9H2,(H,18,23)(H,19,25)(H,21,24)
InChIKeyWXPLVBVMRPWFLE-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.28
Rot. Bonds2

About 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide

1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide (PubChem CID 166429000) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide.

Molecular Properties

Compound Name1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide
PubChem CID166429000
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide
SMILESO=C1NCc2ccc(CNC(=O)N3CCc4c(cn[nH]c4=O)C3)cc21
InChIInChI=1S/C17H17N5O3/c23-15-14-5-10(1-2-11(14)7-18-15)6-19-17(25)22-4-3-13-12(9-22)8-20-21-16(13)24/h1-2,5,8H,3-4,6-7,9H2,(H,18,23)(H,19,25)(H,21,24)
InChIKeyWXPLVBVMRPWFLE-UHFFFAOYSA-N
XLogP0.28
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide?
The IUPAC name of 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide (CID 166429000) is 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide.
What is the SMILES notation for 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide?
The canonical SMILES for 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide is O=C1NCc2ccc(CNC(=O)N3CCc4c(cn[nH]c4=O)C3)cc21.
What is the InChIKey of 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide?
The InChIKey is WXPLVBVMRPWFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-15-14-5-10(1-2-11(14)7-18-15)6-19-17(25)22-4-3-13-12(9-22)8-20-21-16(13)24/h1-2,5,8H,3-4,6-7,9H2,(H,18,23)(H,19,25)(H,21,24).
What are the key properties of 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide?
1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]-2,5,7,8-tetrahydropyrido[3,4-d]pyridazine-6-carboxamide is sourced from PubChem (CID 166429000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).