2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone

C24H22N4O — CID 50779169

IUPAC2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(N2CC=C(c3ccccc3)CC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C24H22N4O/c29-24(28-17-14-20-8-4-5-9-22(20)28)21-10-11-23(26-25-21)27-15-12-19(13-16-27)18-6-2-1-3-7-18/h1-12H,13-17H2
InChIKeyHPCFCLLCXQBTMD-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.97
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone

2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone (PubChem CID 50779169) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone
PubChem CID50779169
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone
SMILESO=C(c1ccc(N2CC=C(c3ccccc3)CC2)nn1)N1CCc2ccccc21
InChIInChI=1S/C24H22N4O/c29-24(28-17-14-20-8-4-5-9-22(20)28)21-10-11-23(26-25-21)27-15-12-19(13-16-27)18-6-2-1-3-7-18/h1-12H,13-17H2
InChIKeyHPCFCLLCXQBTMD-UHFFFAOYSA-N
XLogP3.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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-[6-[4-(2,4-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 50779103
2,3-dihydroindol-1-yl-(1-methyl-5-phenylpyrazol-3-yl)methanone
CID 110336182
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
(2-amino-1,3-oxazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 110857028
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone (CID 50779169) is 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone is O=C(c1ccc(N2CC=C(c3ccccc3)CC2)nn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone?
The InChIKey is HPCFCLLCXQBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c29-24(28-17-14-20-8-4-5-9-22(20)28)21-10-11-23(26-25-21)27-15-12-19(13-16-27)18-6-2-1-3-7-18/h1-12H,13-17H2.
What are the key properties of 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone?
2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone has a molecular weight of 382.47 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 50779169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).