[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H22N4O2 — CID 109120246

IUPAC[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(CNc2ccc(C(=O)N3c4ccccc4CC3C)nn2)cc1
InChIInChI=1S/C22H22N4O2/c1-15-13-17-5-3-4-6-20(17)26(15)22(27)19-11-12-21(25-24-19)23-14-16-7-9-18(28-2)10-8-16/h3-12,15H,13-14H2,1-2H3,(H,23,25)
InChIKeyGXOHJSOBMCXZMX-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds5

About [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109120246) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109120246
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCOc1ccc(CNc2ccc(C(=O)N3c4ccccc4CC3C)nn2)cc1
InChIInChI=1S/C22H22N4O2/c1-15-13-17-5-3-4-6-20(17)26(15)22(27)19-11-12-21(25-24-19)23-14-16-7-9-18(28-2)10-8-16/h3-12,15H,13-14H2,1-2H3,(H,23,25)
InChIKeyGXOHJSOBMCXZMX-UHFFFAOYSA-N
XLogP3.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109157300
[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109119714
[6-(furan-2-ylmethylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109117496
[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109351469
[6-(butan-2-ylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109111518
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109129977
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112649
[5-[(4-fluorophenyl)methylamino]pyrazin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109281775
[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
(2-methyl-2,3-dihydroindol-1-yl)-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109304559
N-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108948863

Frequently Asked Questions

What is the IUPAC name of [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109120246) is [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is COc1ccc(CNc2ccc(C(=O)N3c4ccccc4CC3C)nn2)cc1.
What is the InChIKey of [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is GXOHJSOBMCXZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-13-17-5-3-4-6-20(17)26(15)22(27)19-11-12-21(25-24-19)23-14-16-7-9-18(28-2)10-8-16/h3-12,15H,13-14H2,1-2H3,(H,23,25).
What are the key properties of [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 374.44 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109120246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).