[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate

C23H22FN3O6 — CID 10366745

IUPAC[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)n1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2
InChIInChI=1S/C23H22FN3O6/c1-30-12-21(29)33-11-20(28)27-22-16-10-19(32-3)18(31-2)8-13(16)7-17(22)23(26-27)25-15-6-4-5-14(24)9-15/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,26)
InChIKeyDZZACJOVKMIOLM-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.18
Rot. Bonds8

About [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate

[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate (PubChem CID 10366745) has the molecular formula C23H22FN3O6 and a molecular weight of 455.44 g/mol. Its IUPAC name is [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate
PubChem CID10366745
Molecular FormulaC23H22FN3O6
Molecular Weight455.44 g/mol
Exact Mass455.15
IUPAC Name[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)n1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2
InChIInChI=1S/C23H22FN3O6/c1-30-12-21(29)33-11-20(28)27-22-16-10-19(32-3)18(31-2)8-13(16)7-17(22)23(26-27)25-15-6-4-5-14(24)9-15/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,26)
InChIKeyDZZACJOVKMIOLM-UHFFFAOYSA-N
XLogP3.18
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-(2-fluorophenyl)methanone
CID 18445514
1-ethyl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 143051432
2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethanol
CID 18445458
3-(3-fluoroanilino)-N-[2-(2-hydroxyethylamino)ethyl]-6,7-dimethoxy-4H-indeno[2,1-d]pyrazole-1-carboxamide
CID 58824948
1-diethoxyphosphoryl-N-(3-fluorophenyl)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 58824856
methane;methyl N-[2-[2-[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]ethoxy]ethoxy]ethyl]carbamate;methyl N-[2-[2-[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]ethoxy]ethoxy]ethyl]carbamate
CID 159178289
[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]methyl 2,2-dimethylpropanoate;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 157423118
6-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 18445704
1-fluoro-3-isothiocyanatobenzene;N-(3-fluorophenyl)-6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-amine
CID 159869809
methyl 3-[[6-ethoxy-1-methyl-7-[2-(methylamino)-2-oxoethoxy]-4H-indeno[2,1-d]pyrazol-3-yl]amino]benzoate
CID 162675783
1-[2-[2-[2-[2-(cyclobutylamino)ethoxy]ethoxy]ethoxy]ethyl]-N-(3-fluorophenyl)-7-methoxy-4H-indeno[2,1-d]pyrazol-3-amine
CID 163908904
3-[(6,7-dimethoxy-1,4-dihydroindeno[2,1-d]pyrazol-3-yl)amino]phenol
CID 18445564

Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate (CID 10366745) is [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)n1nc(Nc2cccc(F)c2)c2c1-c1cc(OC)c(OC)cc1C2.
What is the InChIKey of [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is DZZACJOVKMIOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O6/c1-30-12-21(29)33-11-20(28)27-22-16-10-19(32-3)18(31-2)8-13(16)7-17(22)23(26-27)25-15-6-4-5-14(24)9-15/h4-6,8-10H,7,11-12H2,1-3H3,(H,25,26).
What are the key properties of [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate?
[2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 455.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 10366745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).