3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

C113H99N17O18S — CID 158880899

About 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (PubChem CID 158880899) has the molecular formula C113H99N17O18S and a molecular weight of 2015.20 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
• PubChem CID: 158880899
• Molecular Formula: C113H99N17O18S
• Molecular Weight: 2015.20 g/mol
• Exact Mass: 2013.71
• IUPAC Name: 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12
• InChI: InChI=1S/C24H24N4O4.C23H18N4O3.C22H17N3O4.C22H23N3O4.C22H17N3O3S/c1-31-23-16(24(30)25-11-5-13-28-12-4-8-20(28)29)9-10-17-21(23)22(27-26-17)19-14-15-6-2-3-7-18(15)32-19;1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19;1-27-21-15(22(26)23-11-13-8-9-28-12-13)6-7-16-19(21)20(25-24-16)18-10-14-4-2-3-5-17(14)29-18;1-12(2)16(11-26)23-22(27)14-8-9-15-19(21(14)28-3)20(25-24-15)18-10-13-6-4-5-7-17(13)29-18;1-27-21-15(22(26)23-12-14-6-4-10-29-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)28-18/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27);2-12H,13H2,1H3,(H,25,28)(H,26,27);2-10,12H,11H2,1H3,(H,23,26)(H,24,25);4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25)/t;;;16-;/m...1./s1
• InChIKey: JDACGOBIXIAJMH-SWDNXIDPSA-N
• XLogP: 21.25
• TPSA: 467.32 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2015.20
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The IUPAC name of 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide (CID 158880899) is 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide.

What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2ccccn2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2cccs2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)NCc2ccoc2)ccc2n[nH]c(-c3cc4ccccc4o3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4o3)c12.

What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

The InChIKey is JDACGOBIXIAJMH-SWDNXIDPSA-N. The full InChI is InChI=1S/C24H24N4O4.C23H18N4O3.C22H17N3O4.C22H23N3O4.C22H17N3O3S/c1-31-23-16(24(30)25-11-5-13-28-12-4-8-20(28)29)9-10-17-21(23)22(27-26-17)19-14-15-6-2-3-7-18(15)32-19;1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19;1-27-21-15(22(26)23-11-13-8-9-28-12-13)6-7-16-19(21)20(25-24-16)18-10-14-4-2-3-5-17(14)29-18;1-12(2)16(11-26)23-22(27)14-8-9-15-19(21(14)28-3)20(25-24-15)18-10-13-6-4-5-7-17(13)29-18;1-27-21-15(22(26)23-12-14-6-4-10-29-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)28-18/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27);2-12H,13H2,1H3,(H,25,28)(H,26,27);2-10,12H,11H2,1H3,(H,23,26)(H,24,25);4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25)/t;;;16-;/m...1./s1.

What are the key properties of 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide?

3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide has a molecular weight of 2015.20 g/mol, XLogP of 21.25, 28 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-2-yl)-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide is sourced from PubChem (CID 158880899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).