N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide

C90H87N13O15 — CID 157496689

About N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide

N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide (PubChem CID 157496689) has the molecular formula C90H87N13O15 and a molecular weight of 1590.76 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide
• PubChem CID: 157496689
• Molecular Formula: C90H87N13O15
• Molecular Weight: 1590.76 g/mol
• Exact Mass: 1589.64
• IUPAC Name: N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide
• SMILES: C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2c1OC.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1OC
• InChI: InChI=1S/C24H21N3O4.C23H23N3O3.C22H23N3O4.C21H20N4O4/c1-29-23-18(24(28)25-14-17-3-2-11-30-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-12-31-21;1-28-22-17(23(27)24-13-15-2-3-15)6-8-19-21(22)18(25-26-19)7-4-14-5-9-20-16(12-14)10-11-29-20;1-5-12-23-22(26)15-8-10-17-20(21(15)29-4)16(24-25-17)9-6-14-7-11-18(27-2)19(13-14)28-3;1-27-17-9-5-13(12-18(17)28-2)4-7-15-19-16(25-24-15)8-6-14(20(19)29-3)21(26)23-11-10-22/h2-9,11,13H,10,12,14H2,1H3,(H,25,28)(H,26,27);4-9,12,15H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26);5-11,13H,1,12H2,2-4H3,(H,23,26)(H,24,25);4-9,12H,11H2,1-3H3,(H,23,26)(H,24,25)/b2*7-4+;9-6+;7-4+
• InChIKey: BXXNMGOSGPFZJY-RIMRXYSRSA-N
• XLogP: 14.70
• TPSA: 360.35 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1590.76
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?

The IUPAC name of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide (CID 157496689) is N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide.

What is the SMILES notation for N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?

The canonical SMILES for N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide is C=CCNC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)c(OC)c3)c2c1OC.COc1c(C(=O)NCC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)NCC#N)c(OC)c23)cc1OC.

What is the InChIKey of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?

The InChIKey is BXXNMGOSGPFZJY-RIMRXYSRSA-N. The full InChI is InChI=1S/C24H21N3O4.C23H23N3O3.C22H23N3O4.C21H20N4O4/c1-29-23-18(24(28)25-14-17-3-2-11-30-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-12-31-21;1-28-22-17(23(27)24-13-15-2-3-15)6-8-19-21(22)18(25-26-19)7-4-14-5-9-20-16(12-14)10-11-29-20;1-5-12-23-22(26)15-8-10-17-20(21(15)29-4)16(24-25-17)9-6-14-7-11-18(27-2)19(13-14)28-3;1-27-17-9-5-13(12-18(17)28-2)4-7-15-19-16(25-24-15)8-6-14(20(19)29-3)21(26)23-11-10-22/h2-9,11,13H,10,12,14H2,1H3,(H,25,28)(H,26,27);4-9,12,15H,2-3,10-11,13H2,1H3,(H,24,27)(H,25,26);5-11,13H,1,12H2,2-4H3,(H,23,26)(H,24,25);4-9,12H,11H2,1-3H3,(H,23,26)(H,24,25)/b2*7-4+;9-6+;7-4+.

What are the key properties of N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide?

N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide has a molecular weight of 1590.76 g/mol, XLogP of 14.70, 27 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyanomethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-prop-2-enyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 157496689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).