methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate

C24H26N4O5 — CID 162675783

IUPACmethyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
SMILESCCOc1cc2c(cc1OCC(=O)NC)-c1c(c(Nc3cccc(C(=O)OC)c3)nn1C)C2
InChIInChI=1S/C24H26N4O5/c1-5-32-19-11-15-10-18-22(17(15)12-20(19)33-13-21(29)25-2)28(3)27-23(18)26-16-8-6-7-14(9-16)24(30)31-4/h6-9,11-12H,5,10,13H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyFBDUUDDGMKAHQT-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.05
Rot. Bonds8

About methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate

methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate (PubChem CID 162675783) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
PubChem CID162675783
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Namemethyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
SMILESCCOc1cc2c(cc1OCC(=O)NC)-c1c(c(Nc3cccc(C(=O)OC)c3)nn1C)C2
InChIInChI=1S/C24H26N4O5/c1-5-32-19-11-15-10-18-22(17(15)12-20(19)33-13-21(29)25-2)28(3)27-23(18)26-16-8-6-7-14(9-16)24(30)31-4/h6-9,11-12H,5,10,13H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyFBDUUDDGMKAHQT-UHFFFAOYSA-N
XLogP3.05
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate with MolForge

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Related Compounds

2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide
CID 155561035
3-[[6-ethoxy-7-(3-hydroxypropoxy)-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl]amino]-N-methylbenzamide
CID 162662452
2-[[6-ethoxy-3-[(6-ethoxy-2-pyridinyl)amino]-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]acetamide
CID 162649557
[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate
CID 10366745
[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-(2-fluorophenyl)methanone
CID 18445514
methyl 3-[(3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzoate
CID 56766489
methyl 3-[[2-[[5-(2-ethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 1259320
methyl 3-[(2-ethoxyphenyl)methylamino]benzoate
CID 43217510
methyl 3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 4787643
methyl 3-[(4aR,10bR)-8,9-diethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]benzoate
CID 70239536
ethyl 4-(3-methoxycarbonylanilino)quinazoline-2-carboxylate
CID 1192533
methyl 3-[[5-[3-(dimethylamino)propoxy]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]amino]benzoate
CID 58824896

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate?
The IUPAC name of methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate (CID 162675783) is methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate is CCOc1cc2c(cc1OCC(=O)NC)-c1c(c(Nc3cccc(C(=O)OC)c3)nn1C)C2.
What is the InChIKey of methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate?
The InChIKey is FBDUUDDGMKAHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-5-32-19-11-15-10-18-22(17(15)12-20(19)33-13-21(29)25-2)28(3)27-23(18)26-16-8-6-7-14(9-16)24(30)31-4/h6-9,11-12H,5,10,13H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate?
methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate has a molecular weight of 450.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate is sourced from PubChem (CID 162675783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).