3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate

C111H99F2N15O21 — CID 159209701

About 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate

3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate (PubChem CID 159209701) has the molecular formula C111H99F2N15O21 and a molecular weight of 2017.09 g/mol. Its IUPAC name is 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate.

Molecular Properties

• Compound Name: 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
• PubChem CID: 159209701
• Molecular Formula: C111H99F2N15O21
• Molecular Weight: 2017.09 g/mol
• Exact Mass: 2015.71
• IUPAC Name: 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate
• SMILES: CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c2c1OC.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12
• InChI: InChI=1S/C24H21N5O4.C24H21N3O5.C23H23N3O4.C21H19FN2O4.C19H15FN2O4/c1-31-23-17(24(30)27-14-16-13-25-8-9-26-16)4-6-19-22(23)18(28-29-19)5-2-15-3-7-20-21(12-15)33-11-10-32-20;1-29-23-17(24(28)25-14-16-3-2-10-30-16)6-8-19-22(23)18(26-27-19)7-4-15-5-9-20-21(13-15)32-12-11-31-20;1-28-22-16(23(27)24-13-15-2-3-15)6-8-18-21(22)17(25-26-18)7-4-14-5-9-19-20(12-14)30-11-10-29-19;1-4-28-21(26)14-7-10-18-19(20(14)27-3)17(23-24-18)9-6-13-5-8-16(22)15(11-13)12(2)25;1-10(23)13-9-11(3-6-14(13)20)4-7-15-17-16(22-21-15)8-5-12(19(24)25)18(17)26-2/h2-9,12-13H,10-11,14H2,1H3,(H,27,30)(H,28,29);2-10,13H,11-12,14H2,1H3,(H,25,28)(H,26,27);4-9,12,15H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26);5-11H,4H2,1-3H3,(H,23,24);3-9H,1-2H3,(H,21,22)(H,24,25)/b5-2+;2*7-4+;9-6+;7-4+
• InChIKey: KQIKVNWDAUTECU-BWXWEGKLSA-N
• XLogP: 18.96
• TPSA: 468.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2017.09
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?

The IUPAC name of 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate (CID 159209701) is 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate.

What is the SMILES notation for 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?

The canonical SMILES for 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate is CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c2c1OC.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.

What is the InChIKey of 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?

The InChIKey is KQIKVNWDAUTECU-BWXWEGKLSA-N. The full InChI is InChI=1S/C24H21N5O4.C24H21N3O5.C23H23N3O4.C21H19FN2O4.C19H15FN2O4/c1-31-23-17(24(30)27-14-16-13-25-8-9-26-16)4-6-19-22(23)18(28-29-19)5-2-15-3-7-20-21(12-15)33-11-10-32-20;1-29-23-17(24(28)25-14-16-3-2-10-30-16)6-8-19-22(23)18(26-27-19)7-4-15-5-9-20-21(13-15)32-12-11-31-20;1-28-22-16(23(27)24-13-15-2-3-15)6-8-18-21(22)17(25-26-18)7-4-14-5-9-19-20(12-14)30-11-10-29-19;1-4-28-21(26)14-7-10-18-19(20(14)27-3)17(23-24-18)9-6-13-5-8-16(22)15(11-13)12(2)25;1-10(23)13-9-11(3-6-14(13)20)4-7-15-17-16(22-21-15)8-5-12(19(24)25)18(17)26-2/h2-9,12-13H,10-11,14H2,1H3,(H,27,30)(H,28,29);2-10,13H,11-12,14H2,1H3,(H,25,28)(H,26,27);4-9,12,15H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26);5-11H,4H2,1-3H3,(H,23,24);3-9H,1-2H3,(H,21,22)(H,24,25)/b5-2+;2*7-4+;9-6+;7-4+.

What are the key properties of 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate?

3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate has a molecular weight of 2017.09 g/mol, XLogP of 18.96, 29 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;ethyl 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate is sourced from PubChem (CID 159209701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).