methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate

C22H20N4O3 — CID 109129977

IUPACmethyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)nn2)cc1
InChIInChI=1S/C22H20N4O3/c1-14-13-16-5-3-4-6-19(16)26(14)21(27)18-11-12-20(25-24-18)23-17-9-7-15(8-10-17)22(28)29-2/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyINMVULUZMHWBCQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.60
Rot. Bonds4

About methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate

methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate (PubChem CID 109129977) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
PubChem CID109129977
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Namemethyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)nn2)cc1
InChIInChI=1S/C22H20N4O3/c1-14-13-16-5-3-4-6-19(16)26(14)21(27)18-11-12-20(25-24-18)23-17-9-7-15(8-10-17)22(28)29-2/h3-12,14H,13H2,1-2H3,(H,23,25)
InChIKeyINMVULUZMHWBCQ-UHFFFAOYSA-N
XLogP3.60
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109164639
[6-(2-ethoxyanilino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109129448
methyl 3-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109200510
[6-(cyclohexylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109112959
methyl 3-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazin-2-yl]amino]benzoate
CID 109294208
[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-[4-[[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109164561
(5-anilino-2-pyridinyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109197131
[6-(furan-2-ylmethylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109117496
[6-[(2-chlorophenyl)methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109119714
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate (CID 109129977) is methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate is COC(=O)c1ccc(Nc2ccc(C(=O)N3c4ccccc4CC3C)nn2)cc1.
What is the InChIKey of methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate?
The InChIKey is INMVULUZMHWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-13-16-5-3-4-6-19(16)26(14)21(27)18-11-12-20(25-24-18)23-17-9-7-15(8-10-17)22(28)29-2/h3-12,14H,13H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate?
methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate has a molecular weight of 388.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridazin-3-yl]amino]benzoate is sourced from PubChem (CID 109129977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).