[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

C42H42F2N6O6 — CID 157423118

IUPAC[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
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(F)c3)c1C2.COc1cc2c(cc1OC)-c1nn(COC(=O)C(C)(C)C)c(Nc3cccc(F)c3)c1C2
InChIInChI=1S/C24H26FN3O4.C18H16FN3O2/c1-24(2,3)23(29)32-13-28-22(26-16-8-6-7-15(25)11-16)18-9-14-10-19(30-4)20(31-5)12-17(14)21(18)27-28;1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h6-8,10-12,26H,9,13H2,1-5H3;3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChIKeyBPQKBWVWNAWDSA-UHFFFAOYSA-N
MW764.83 g/mol
LogP8.78
Rot. Bonds10

About [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

[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 (PubChem CID 157423118) has the molecular formula C42H42F2N6O6 and a molecular weight of 764.83 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID157423118
Molecular FormulaC42H42F2N6O6
Molecular Weight764.83 g/mol
Exact Mass764.31
IUPAC Name[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
SMILESCOc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(F)c3)c1C2.COc1cc2c(cc1OC)-c1nn(COC(=O)C(C)(C)C)c(Nc3cccc(F)c3)c1C2
InChIInChI=1S/C24H26FN3O4.C18H16FN3O2/c1-24(2,3)23(29)32-13-28-22(26-16-8-6-7-15(25)11-16)18-9-14-10-19(30-4)20(31-5)12-17(14)21(18)27-28;1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h6-8,10-12,26H,9,13H2,1-5H3;3-5,7-9H,6H2,1-2H3,(H2,20,21,22)
InChIKeyBPQKBWVWNAWDSA-UHFFFAOYSA-N
XLogP8.78
TPSA133.78 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.83
LogP ≤ 58.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc2c(cc1OC)-c1[nH]nc(Nc3cccc(F)c3)c1C2.COc1cc2c(cc1OC)-c1nn(COC(=O)C(C)(C)C)c(Nc3cccc(F)c3)c1C2.
What is the InChIKey of [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?
The InChIKey is BPQKBWVWNAWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4.C18H16FN3O2/c1-24(2,3)23(29)32-13-28-22(26-16-8-6-7-15(25)11-16)18-9-14-10-19(30-4)20(31-5)12-17(14)21(18)27-28;1-23-15-7-10-6-14-17(13(10)9-16(15)24-2)21-22-18(14)20-12-5-3-4-11(19)8-12/h6-8,10-12,26H,9,13H2,1-5H3;3-5,7-9H,6H2,1-2H3,(H2,20,21,22).
What are the key properties of [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?
[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 has a molecular weight of 764.83 g/mol, XLogP of 8.78, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 157423118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).