(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one

C15H11Cl2N3O3 — CID 9492249

IUPAC(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)cc21
InChIInChI=1S/C15H11Cl2N3O3/c1-7-9-4-8(2-3-11(9)19-14(7)22)12(21)6-20-15(23)13(17)10(16)5-18-20/h2-5,7H,6H2,1H3,(H,19,22)/t7-/m0/s1
InChIKeyGQSCHYNJQAYJDP-ZETCQYMHSA-N
MW352.18 g/mol
LogP2.49
Rot. Bonds3

About (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one

(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 9492249) has the molecular formula C15H11Cl2N3O3 and a molecular weight of 352.18 g/mol. Its IUPAC name is (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID9492249
Molecular FormulaC15H11Cl2N3O3
Molecular Weight352.18 g/mol
Exact Mass351.02
IUPAC Name(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one
SMILESC[C@@H]1C(=O)Nc2ccc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)cc21
InChIInChI=1S/C15H11Cl2N3O3/c1-7-9-4-8(2-3-11(9)19-14(7)22)12(21)6-20-15(23)13(17)10(16)5-18-20/h2-5,7H,6H2,1H3,(H,19,22)/t7-/m0/s1
InChIKeyGQSCHYNJQAYJDP-ZETCQYMHSA-N
XLogP2.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-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

(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
4,5-dichloro-2-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7628617
4,5-dichloro-2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyridazin-3-one
CID 8862790
4,5-dichloro-2-[2-(4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7419620
4,5-dichloro-2-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyridazin-3-one
CID 7544095
N-[4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]phenyl]acetamide
CID 2539129
(3R)-5-[2-(3,4-dichlorophenoxy)acetyl]-3-methyl-1,3-dihydroindol-2-one
CID 9196934
4-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]benzonitrile
CID 166162775
4,5-dichloro-2-[2-(2,4-dichlorophenyl)-2-oxoethyl]pyridazin-3-one
CID 166162766
(5R)-5-methyl-3-[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 8625465
5-chloro-2-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpyridazin-3-one
CID 166162785
(3R)-5-[2-(4-fluorophenyl)sulfanylacetyl]-3-methyl-1,3-dihydroindol-2-one
CID 8886329

Frequently Asked Questions

What is the IUPAC name of (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one (CID 9492249) is (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one is C[C@@H]1C(=O)Nc2ccc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)cc21.
What is the InChIKey of (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is GQSCHYNJQAYJDP-ZETCQYMHSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3/c1-7-9-4-8(2-3-11(9)19-14(7)22)12(21)6-20-15(23)13(17)10(16)5-18-20/h2-5,7H,6H2,1H3,(H,19,22)/t7-/m0/s1.
What are the key properties of (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one?
(3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 352.18 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 9492249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).