N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C115H102N18O16S — CID 161181995

About N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 161181995) has the molecular formula C115H102N18O16S and a molecular weight of 2024.26 g/mol. Its IUPAC name is N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
• PubChem CID: 161181995
• Molecular Formula: C115H102N18O16S
• Molecular Weight: 2024.26 g/mol
• Exact Mass: 2022.74
• IUPAC Name: N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2ncco2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12
• InChI: InChI=1S/C25H22N4O3.C24H21N3O3S.C23H20N4O4.C22H21N3O3.C21H18N4O3/c1-31-24-19(25(30)27-15-17-3-2-11-26-14-17)6-8-21-23(24)20(28-29-21)7-4-16-5-9-22-18(13-16)10-12-32-22;1-29-23-18(24(28)25-14-17-3-2-12-31-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-11-30-21;1-29-22-16(23(28)25-13-20-24-9-11-31-20)4-6-18-21(22)17(26-27-18)5-2-14-3-7-19-15(12-14)8-10-30-19;1-27-21-16(22(26)23-15-4-5-15)6-8-18-20(21)17(24-25-18)7-2-13-3-9-19-14(12-13)10-11-28-19;1-27-20-15(21(26)23-10-9-22)4-6-17-19(20)16(24-25-17)5-2-13-3-7-18-14(12-13)8-11-28-18/h2-9,11,13-14H,10,12,15H2,1H3,(H,27,30)(H,28,29);2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27);2-7,9,11-12H,8,10,13H2,1H3,(H,25,28)(H,26,27);2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,23,26)(H,24,25);2-7,12H,8,10-11H2,1H3,(H,23,26)(H,24,25)/b2*7-4+;5-2+;7-2+;5-2+
• InChIKey: USOVBVPIYZASHJ-JRESFUQOSA-N
• XLogP: 18.76
• TPSA: 443.91 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2024.26
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The IUPAC name of N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 161181995) is N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

What is the SMILES notation for N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The canonical SMILES for N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCC#N)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2cccnc2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.COc1c(C(=O)NCc2ncco2)ccc2n[nH]c(/C=C/c3ccc4c(c3)CCO4)c12.

What is the InChIKey of N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The InChIKey is USOVBVPIYZASHJ-JRESFUQOSA-N. The full InChI is InChI=1S/C25H22N4O3.C24H21N3O3S.C23H20N4O4.C22H21N3O3.C21H18N4O3/c1-31-24-19(25(30)27-15-17-3-2-11-26-14-17)6-8-21-23(24)20(28-29-21)7-4-16-5-9-22-18(13-16)10-12-32-22;1-29-23-18(24(28)25-14-17-3-2-12-31-17)6-8-20-22(23)19(26-27-20)7-4-15-5-9-21-16(13-15)10-11-30-21;1-29-22-16(23(28)25-13-20-24-9-11-31-20)4-6-18-21(22)17(26-27-18)5-2-14-3-7-19-15(12-14)8-10-30-19;1-27-21-16(22(26)23-15-4-5-15)6-8-18-20(21)17(24-25-18)7-2-13-3-9-19-14(12-13)10-11-28-19;1-27-20-15(21(26)23-10-9-22)4-6-17-19(20)16(24-25-17)5-2-13-3-7-18-14(12-13)8-11-28-18/h2-9,11,13-14H,10,12,15H2,1H3,(H,27,30)(H,28,29);2-9,12-13H,10-11,14H2,1H3,(H,25,28)(H,26,27);2-7,9,11-12H,8,10,13H2,1H3,(H,25,28)(H,26,27);2-3,6-9,12,15H,4-5,10-11H2,1H3,(H,23,26)(H,24,25);2-7,12H,8,10-11H2,1H3,(H,23,26)(H,24,25)/b2*7-4+;5-2+;7-2+;5-2+.

What are the key properties of N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2024.26 g/mol, XLogP of 18.76, 28 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-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]-4-methoxy-N-(1,3-oxazol-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 161181995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).