6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one

C24H23N5O2 — CID 46279373

IUPAC6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(C(C)C(=O)N2CCc3ccccc32)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C24H23N5O2/c1-15-21-16(2)28(19-10-5-4-6-11-19)26-22(21)24(31)29(25-15)17(3)23(30)27-14-13-18-9-7-8-12-20(18)27/h4-12,17H,13-14H2,1-3H3
InChIKeyQBEWCNRRAKQSFI-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.35
Rot. Bonds3

About 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one

6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 46279373) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID46279373
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(C(C)C(=O)N2CCc3ccccc32)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C24H23N5O2/c1-15-21-16(2)28(19-10-5-4-6-11-19)26-22(21)24(31)29(25-15)17(3)23(30)27-14-13-18-9-7-8-12-20(18)27/h4-12,17H,13-14H2,1-3H3
InChIKeyQBEWCNRRAKQSFI-UHFFFAOYSA-N
XLogP3.35
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-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

ethyl 2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanoate
CID 20888137
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7557171
N-benzyl-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 20919669
1-(2,3-dihydroindol-1-yl)-2-(3-methylindazol-1-yl)propan-1-one
CID 53298906
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)sulfanylethanone
CID 20888140
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 92691402
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
(2R)-N-[3-[cyclohexyl(methyl)amino]propyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 92691421
(2S)-N-[(3-bromophenyl)methyl]-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 92691426
(2R)-2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92505469
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one (CID 46279373) is 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one is Cc1nn(C(C)C(=O)N2CCc3ccccc32)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is QBEWCNRRAKQSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-21-16(2)28(19-10-5-4-6-11-19)26-22(21)24(31)29(25-15)17(3)23(30)27-14-13-18-9-7-8-12-20(18)27/h4-12,17H,13-14H2,1-3H3.
What are the key properties of 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 413.48 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 46279373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).