(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone

C15H15BrN4O — CID 56788354

IUPAC(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3ccc(Br)cc32)nn1
InChIInChI=1S/C15H15BrN4O/c1-19(2)14-6-5-12(17-18-14)15(21)20-8-7-10-3-4-11(16)9-13(10)20/h3-6,9H,7-8H2,1-2H3
InChIKeyZXHDWXNZBYLZTJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP2.51
Rot. Bonds2

About (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone

(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone (PubChem CID 56788354) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone
PubChem CID56788354
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCc3ccc(Br)cc32)nn1
InChIInChI=1S/C15H15BrN4O/c1-19(2)14-6-5-12(17-18-14)15(21)20-8-7-10-3-4-11(16)9-13(10)20/h3-6,9H,7-8H2,1-2H3
InChIKeyZXHDWXNZBYLZTJ-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6-bromo-2,3-dihydroindol-1-yl)methanone
CID 120632945
(6-bromo-2,3-dihydroindol-1-yl)-(4-ethylpyrimidin-5-yl)methanone
CID 56788362
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 56788508
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119324743
6-bromo-N-(1-methyl-1,2,4-triazol-3-yl)-2,3-dihydroindole-1-carboxamide
CID 126839807
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
CID 119785536
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
2-[[1-[6-(dimethylamino)pyridazine-3-carbonyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126854405
6-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydroindole-1-carboxamide
CID 126828889

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone?
The IUPAC name of (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone (CID 56788354) is (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone is CN(C)c1ccc(C(=O)N2CCc3ccc(Br)cc32)nn1.
What is the InChIKey of (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone?
The InChIKey is ZXHDWXNZBYLZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-19(2)14-6-5-12(17-18-14)15(21)20-8-7-10-3-4-11(16)9-13(10)20/h3-6,9H,7-8H2,1-2H3.
What are the key properties of (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone?
(6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone has a molecular weight of 347.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydroindol-1-yl)-[6-(dimethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 56788354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).