2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide

C24H28N4O4 — CID 155561035

IUPAC2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide
SMILESCCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(=O)NC)cc2-3)c1
InChIInChI=1S/C24H28N4O4/c1-5-30-17-9-7-8-16(12-17)26-24-19-10-15-11-20(31-6-2)21(32-14-22(29)25-3)13-18(15)23(19)28(4)27-24/h7-9,11-13H,5-6,10,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyLEMAKOJAKPTICS-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.66
Rot. Bonds9

About 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide

2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide (PubChem CID 155561035) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide
PubChem CID155561035
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide
SMILESCCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(=O)NC)cc2-3)c1
InChIInChI=1S/C24H28N4O4/c1-5-30-17-9-7-8-16(12-17)26-24-19-10-15-11-20(31-6-2)21(32-14-22(29)25-3)13-18(15)23(19)28(4)27-24/h7-9,11-13H,5-6,10,14H2,1-4H3,(H,25,29)(H,26,27)
InChIKeyLEMAKOJAKPTICS-UHFFFAOYSA-N
XLogP3.66
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide with MolForge

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Related Compounds

methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
CID 162675783
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
1-diethoxyphosphoryl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 58824856
N-methyl-2-[3-[(1-methylazepan-4-yl)amino]phenoxy]acetamide
CID 65070020
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-4-carboxamide
CID 34273229
2-[3-[[5-fluoro-4-(pyrrol-1-ylamino)pyrimidin-2-yl]amino]phenoxy]-N-methylacetamide
CID 174475621
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
N-methyl-2-[3-(2-methylpentylamino)phenoxy]acetamide
CID 43693343
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401

Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide?
The IUPAC name of 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide (CID 155561035) is 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide.
What is the SMILES notation for 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide?
The canonical SMILES for 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide is CCOc1cccc(Nc2nn(C)c3c2Cc2cc(OCC)c(OCC(=O)NC)cc2-3)c1.
What is the InChIKey of 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide?
The InChIKey is LEMAKOJAKPTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-5-30-17-9-7-8-16(12-17)26-24-19-10-15-11-20(31-6-2)21(32-14-22(29)25-3)13-18(15)23(19)28(4)27-24/h7-9,11-13H,5-6,10,14H2,1-4H3,(H,25,29)(H,26,27).
What are the key properties of 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide?
2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide has a molecular weight of 436.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethoxy-3-(3-ethoxyanilino)-1-methyl-4H-indeno[2,1-d]pyrazol-7-yl]oxy]-N-methylacetamide is sourced from PubChem (CID 155561035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).