[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C21H19ClN4O — CID 109119714

IUPAC[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C21H19ClN4O/c1-14-12-15-6-3-5-9-19(15)26(14)21(27)18-10-11-20(25-24-18)23-13-16-7-2-4-8-17(16)22/h2-11,14H,12-13H2,1H3,(H,23,25)
InChIKeyZOAYGHIGYFVWBR-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.33
Rot. Bonds4

About [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109119714) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109119714
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(NCc2ccccc2Cl)nn1
InChIInChI=1S/C21H19ClN4O/c1-14-12-15-6-3-5-9-19(15)26(14)21(27)18-10-11-20(25-24-18)23-13-16-7-2-4-8-17(16)22/h2-11,14H,12-13H2,1H3,(H,23,25)
InChIKeyZOAYGHIGYFVWBR-UHFFFAOYSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109370002
[6-(furan-2-ylmethylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109117496
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109120246
[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109111518
N-[(2-chlorophenyl)methyl]-2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]acetamide
CID 95089809
[6-(cyclohexylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109112959
[6-(2-ethoxyanilino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109129448
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
6-[(2-chlorophenyl)methylamino]-N-propylpyridazine-3-carboxamide
CID 109109231
6-[(2-chlorophenyl)methylamino]-N-(2-methylphenyl)pyridazine-3-carboxamide
CID 109119670
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109119714) is [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(NCc2ccccc2Cl)nn1.
What is the InChIKey of [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZOAYGHIGYFVWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-14-12-15-6-3-5-9-19(15)26(14)21(27)18-10-11-20(25-24-18)23-13-16-7-2-4-8-17(16)22/h2-11,14H,12-13H2,1H3,(H,23,25).
What are the key properties of [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 378.86 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109119714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).