2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone

C25H27N5O — CID 50779103

IUPAC2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone
SMILESCc1ccc(N2CCN(c3ccc(C(=O)N4CCc5ccccc54)nn3)CC2)c(C)c1
InChIInChI=1S/C25H27N5O/c1-18-7-9-22(19(2)17-18)28-13-15-29(16-14-28)24-10-8-21(26-27-24)25(31)30-12-11-20-5-3-4-6-23(20)30/h3-10,17H,11-16H2,1-2H3
InChIKeyNQNVJSXZJSCSIX-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.62
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone

2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone (PubChem CID 50779103) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone
PubChem CID50779103
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone
SMILESCc1ccc(N2CCN(c3ccc(C(=O)N4CCc5ccccc54)nn3)CC2)c(C)c1
InChIInChI=1S/C25H27N5O/c1-18-7-9-22(19(2)17-18)28-13-15-29(16-14-28)24-10-8-21(26-27-24)25(31)30-12-11-20-5-3-4-6-23(20)30/h3-10,17H,11-16H2,1-2H3
InChIKeyNQNVJSXZJSCSIX-UHFFFAOYSA-N
XLogP3.62
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone
CID 50779169
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109121757
2,3-dihydroindol-1-yl-[5-(2,4-dimethylanilino)-2-pyridinyl]methanone
CID 109197734
2,3-dihydroindol-1-yl-[5-[4-(3-methylphenyl)piperazin-1-yl]pyrazin-2-yl]methanone
CID 109286410
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
2,3-dihydroindol-1-yl-[6-(2,4-dimethylanilino)pyrimidin-4-yl]methanone
CID 109356594
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
CID 109118280
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
4-(2,3-dihydroindole-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049527
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
2,3-dihydroindol-1-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109216263

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone (CID 50779103) is 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone is Cc1ccc(N2CCN(c3ccc(C(=O)N4CCc5ccccc54)nn3)CC2)c(C)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone?
The InChIKey is NQNVJSXZJSCSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-18-7-9-22(19(2)17-18)28-13-15-29(16-14-28)24-10-8-21(26-27-24)25(31)30-12-11-20-5-3-4-6-23(20)30/h3-10,17H,11-16H2,1-2H3.
What are the key properties of 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone?
2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone has a molecular weight of 413.53 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone is sourced from PubChem (CID 50779103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).