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

C117H105F4N17O18S — CID 158259263

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

3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 158259263) has the molecular formula C117H105F4N17O18S and a molecular weight of 2145.29 g/mol. Its IUPAC name is 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide
• PubChem CID: 158259263
• Molecular Formula: C117H105F4N17O18S
• Molecular Weight: 2145.29 g/mol
• Exact Mass: 2143.75
• IUPAC Name: 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)NCC(C)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12
• InChI: InChI=1S/C24H20FN5O3.C24H20FN3O4.C24H20FN3O3S.C23H22FN3O3.C22H23N3O5/c1-14(31)18-11-15(3-6-19(18)25)4-7-20-22-21(30-29-20)8-5-17(23(22)33-2)24(32)28-13-16-12-26-9-10-27-16;2*1-14(29)18-12-15(5-8-19(18)25)6-9-20-22-21(28-27-20)10-7-17(23(22)31-2)24(30)26-13-16-4-3-11-32-16;1-13(28)17-11-14(5-8-18(17)24)6-9-19-21-20(27-26-19)10-7-16(22(21)30-2)23(29)25-12-15-3-4-15;1-13(26)12-23-22(27)15-5-7-17-20(21(15)28-2)16(24-25-17)6-3-14-4-8-18-19(11-14)30-10-9-29-18/h3-12H,13H2,1-2H3,(H,28,32)(H,29,30);2*3-12H,13H2,1-2H3,(H,26,30)(H,27,28);5-11,15H,3-4,12H2,1-2H3,(H,25,29)(H,26,27);3-8,11,13,26H,9-10,12H2,1-2H3,(H,23,27)(H,24,25)/b7-4+;3*9-6+;6-3+
• InChIKey: GHRGDSRNRKDWQF-LHTFTVLLSA-N
• XLogP: 20.33
• TPSA: 480.94 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2145.29
LogP ≤ 5	20.33
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide (CID 158259263) is 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide.

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

The canonical SMILES for 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NCC(C)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCCO4)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccc(F)c(C(C)=O)c3)c12.COc1c(C(=O)NCc2cnccn2)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]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide?

The InChIKey is GHRGDSRNRKDWQF-LHTFTVLLSA-N. The full InChI is InChI=1S/C24H20FN5O3.C24H20FN3O4.C24H20FN3O3S.C23H22FN3O3.C22H23N3O5/c1-14(31)18-11-15(3-6-19(18)25)4-7-20-22-21(30-29-20)8-5-17(23(22)33-2)24(32)28-13-16-12-26-9-10-27-16;2*1-14(29)18-12-15(5-8-19(18)25)6-9-20-22-21(28-27-20)10-7-17(23(22)31-2)24(30)26-13-16-4-3-11-32-16;1-13(28)17-11-14(5-8-18(17)24)6-9-19-21-20(27-26-19)10-7-16(22(21)30-2)23(29)25-12-15-3-4-15;1-13(26)12-23-22(27)15-5-7-17-20(21(15)28-2)16(24-25-17)6-3-14-4-8-18-19(11-14)30-10-9-29-18/h3-12H,13H2,1-2H3,(H,28,32)(H,29,30);2*3-12H,13H2,1-2H3,(H,26,30)(H,27,28);5-11,15H,3-4,12H2,1-2H3,(H,25,29)(H,26,27);3-8,11,13,26H,9-10,12H2,1-2H3,(H,23,27)(H,24,25)/b7-4+;3*9-6+;6-3+.

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

3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 2145.29 g/mol, XLogP of 20.33, 34 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3-acetyl-4-fluorophenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 158259263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).