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

C21H20N4O — CID 109118280

IUPAC2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
SMILESCc1cccc(CNc2ccc(C(=O)N3CCc4ccccc43)nn2)c1
InChIInChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)14-22-20-10-9-18(23-24-20)21(26)25-12-11-17-7-2-3-8-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,24)
InChIKeyZTBURCDNEQUEMQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.60
Rot. Bonds4

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

2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone (PubChem CID 109118280) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
PubChem CID109118280
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone
SMILESCc1cccc(CNc2ccc(C(=O)N3CCc4ccccc43)nn2)c1
InChIInChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)14-22-20-10-9-18(23-24-20)21(26)25-12-11-17-7-2-3-8-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,24)
InChIKeyZTBURCDNEQUEMQ-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[5-[(3-methylphenyl)methylamino]pyrazin-2-yl]methanone
CID 109280409
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109347072
2,3-dihydroindol-1-yl-[2-[(3-methylphenyl)methylamino]pyrimidin-5-yl]methanone
CID 109255992
3,4-dihydro-2H-quinolin-1-yl-[6-[(4-fluorophenyl)methylamino]pyridazin-3-yl]methanone
CID 109119452
3,4-dihydro-2H-quinolin-1-yl-[6-(ethylamino)pyridazin-3-yl]methanone
CID 62172479
[6-(butan-2-ylamino)pyridazin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109111436
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
2,3-dihydroindol-1-yl-[6-[2-(2-methoxyphenyl)ethylamino]pyridazin-3-yl]methanone
CID 109122223
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
2,3-dihydroindol-1-yl-[2-methyl-6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]methanone
CID 109371243
N-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]-2-phenylacetamide
CID 113040992
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone (CID 109118280) is 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone is Cc1cccc(CNc2ccc(C(=O)N3CCc4ccccc43)nn2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone?
The InChIKey is ZTBURCDNEQUEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)14-22-20-10-9-18(23-24-20)21(26)25-12-11-17-7-2-3-8-19(17)25/h2-10,13H,11-12,14H2,1H3,(H,22,24).
What are the key properties of 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone?
2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[6-[(3-methylphenyl)methylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109118280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).