N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide

C88H83N15O18 — CID 158558103

About N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide

N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158558103) has the molecular formula C88H83N15O18 and a molecular weight of 1638.72 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
• PubChem CID: 158558103
• Molecular Formula: C88H83N15O18
• Molecular Weight: 1638.72 g/mol
• Exact Mass: 1637.60
• IUPAC Name: N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)NCC(C)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCCNC(C)=O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12
• InChI: InChI=1S/C23H19N5O4.C22H22N4O5.C22H21N3O4.C21H21N3O5/c1-30-22-16(23(29)26-12-15-11-24-8-9-25-15)4-6-18-21(22)17(27-28-18)5-2-14-3-7-19-20(10-14)32-13-31-19;1-13(27)23-9-10-24-22(28)15-5-7-17-20(21(15)29-2)16(25-26-17)6-3-14-4-8-18-19(11-14)31-12-30-18;1-27-21-15(22(26)23-11-14-2-3-14)6-8-17-20(21)16(24-25-17)7-4-13-5-9-18-19(10-13)29-12-28-18;1-12(25)10-22-21(26)14-5-7-16-19(20(14)27-2)15(23-24-16)6-3-13-4-8-17-18(9-13)29-11-28-17/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28);3-8,11H,9-10,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,26);4-10,14H,2-3,11-12H2,1H3,(H,23,26)(H,24,25);3-9,12,25H,10-11H2,1-2H3,(H,22,26)(H,23,24)/b5-2+;6-3+;7-4+;6-3+
• InChIKey: HQNRCDNCWPMKEL-ZCWGPPGKSA-N
• XLogP: 11.72
• TPSA: 416.99 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1638.72
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?

The IUPAC name of N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide (CID 158558103) is N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide.

What is the SMILES notation for N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?

The canonical SMILES for N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NCC(C)O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCCNC(C)=O)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.COc1c(C(=O)NCc2cnccn2)ccc2n[nH]c(/C=C/c3ccc4c(c3)OCO4)c12.

What is the InChIKey of N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?

The InChIKey is HQNRCDNCWPMKEL-ZCWGPPGKSA-N. The full InChI is InChI=1S/C23H19N5O4.C22H22N4O5.C22H21N3O4.C21H21N3O5/c1-30-22-16(23(29)26-12-15-11-24-8-9-25-15)4-6-18-21(22)17(27-28-18)5-2-14-3-7-19-20(10-14)32-13-31-19;1-13(27)23-9-10-24-22(28)15-5-7-17-20(21(15)29-2)16(25-26-17)6-3-14-4-8-18-19(11-14)31-12-30-18;1-27-21-15(22(26)23-11-14-2-3-14)6-8-17-20(21)16(24-25-17)7-4-13-5-9-18-19(10-13)29-12-28-18;1-12(25)10-22-21(26)14-5-7-16-19(20(14)27-2)15(23-24-16)6-3-13-4-8-17-18(9-13)29-11-28-17/h2-11H,12-13H2,1H3,(H,26,29)(H,27,28);3-8,11H,9-10,12H2,1-2H3,(H,23,27)(H,24,28)(H,25,26);4-10,14H,2-3,11-12H2,1H3,(H,23,26)(H,24,25);3-9,12,25H,10-11H2,1-2H3,(H,22,26)(H,23,24)/b5-2+;6-3+;7-4+;6-3+.

What are the key properties of N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide?

N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 1638.72 g/mol, XLogP of 11.72, 25 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-acetamidoethyl)-3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N-(2-hydroxypropyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158558103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).