6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one

C27H29N5O3 — CID 53066218

IUPAC6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C27H29N5O3/c1-20-19-21-7-5-6-10-24(21)32(20)27(35)23-11-12-26(34)31(28-23)14-13-25(33)30-17-15-29(16-18-30)22-8-3-2-4-9-22/h2-12,20H,13-19H2,1H3
InChIKeyRVTYJKNYZNNAGJ-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.57
Rot. Bonds5

About 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one

6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one (PubChem CID 53066218) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
PubChem CID53066218
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C27H29N5O3/c1-20-19-21-7-5-6-10-24(21)32(20)27(35)23-11-12-26(34)31(28-23)14-13-25(33)30-17-15-29(16-18-30)22-8-3-2-4-9-22/h2-12,20H,13-19H2,1H3
InChIKeyRVTYJKNYZNNAGJ-UHFFFAOYSA-N
XLogP2.57
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one with MolForge

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Related Compounds

N-butyl-N-methyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595034
N,N-diethyl-2-(4-methyl-3-oxo-2-phenylpyrazolo[3,4-b]quinolin-9-yl)acetamide
CID 56595035
2-(4-Benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4839240
(4Z)-5-Methyl-2-phenyl-4-[(2E)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
CID 5367004
5-Methyl-2-phenylpyridazino[4,3-b]indol-3-one
CID 664293
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-6-(4-methylphenyl)pyridazin-3(2H)-one
CID 3245318
6-(4-methylphenyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3(2H)-one
CID 3550186
(4Z)-5-methyl-2-phenyl-4-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]pyrazol-3-one
CID 5440998
(4Z)-5-methyl-4-[[4-(2-methylphenyl)piperazin-1-yl]-phenylmethylidene]-2-phenylpyrazol-3-one
CID 10646595
2-Methyl-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridazin-3-one
CID 56677109
6-[4-(4-Cyclopentylpiperazin-1-yl)phenyl]-2-methylpyridazin-3-one
CID 56683753
6-[4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]phenyl]-2-methylpyridazin-3-one
CID 56683754

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
The IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one (CID 53066218) is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
The canonical SMILES for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one is CC1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
The InChIKey is RVTYJKNYZNNAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-20-19-21-7-5-6-10-24(21)32(20)27(35)23-11-12-26(34)31(28-23)14-13-25(33)30-17-15-29(16-18-30)22-8-3-2-4-9-22/h2-12,20H,13-19H2,1H3.
What are the key properties of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one?
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one has a molecular weight of 471.56 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyridazin-3-one is sourced from PubChem (CID 53066218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).