6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one

C14H13N3O2 — CID 158576176

IUPAC6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(=O)n(Cc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C14H13N3O2/c1-9-2-5-14(19)17(16-9)8-10-3-4-11-7-13(18)15-12(11)6-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyWBIJYNPBGLULBW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.09
Rot. Bonds2

About 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one

6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 158576176) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID158576176
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one
SMILESCc1ccc(=O)n(Cc2ccc3c(c2)NC(=O)C3)n1
InChIInChI=1S/C14H13N3O2/c1-9-2-5-14(19)17(16-9)8-10-3-4-11-7-13(18)15-12(11)6-10/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyWBIJYNPBGLULBW-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-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

6-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 126792693
2-(2-oxo-1,3-dihydroindol-6-yl)acetic acid
CID 2750259
2-[(4-chloro-3-nitrophenyl)methyl]-6-methylpyridazin-3-one
CID 62923890
2-[(3-cyclopentylphenyl)methyl]-6-methylpyridazin-3-one
CID 173107153
2-[[4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-6-methylpyridazin-3-one
CID 113249602
N-[(6-methyl-3-pyridinyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712353
2-[[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]methyl]-6-methylpyridazin-3-one
CID 62924245
2-ethyl-5-methyl-N-[4-[(2-oxo-1,3-dihydroindol-5-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 86610375
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-6-methylpyridazin-3-one
CID 62923563
6-methyl-2-propylpyridazin-3-one
CID 12504076
ethene;2-ethyl-6-methylpyridazin-3-one
CID 159533733
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
CID 103218042

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one (CID 158576176) is 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one is Cc1ccc(=O)n(Cc2ccc3c(c2)NC(=O)C3)n1.
What is the InChIKey of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is WBIJYNPBGLULBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9-2-5-14(19)17(16-9)8-10-3-4-11-7-13(18)15-12(11)6-10/h2-6H,7-8H2,1H3,(H,15,18).
What are the key properties of 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one?
6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 255.28 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methyl-6-oxopyridazin-1-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 158576176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).