3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide

C111H93F5N16O9S2 — CID 158755586

About 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide (PubChem CID 158755586) has the molecular formula C111H93F5N16O9S2 and a molecular weight of 1954.19 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide
• PubChem CID: 158755586
• Molecular Formula: C111H93F5N16O9S2
• Molecular Weight: 1954.19 g/mol
• Exact Mass: 1952.67
• IUPAC Name: 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide
• SMILES: CC(C)[C@@H](CO)NC(=O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC1CC1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCCCN1CCCC1=O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC[C@H]1CCCO1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F
• InChI: InChI=1S/C23H21FN4O2S.C23H20FN3O2.C23H16FN3O2.C21H20FN3O2S.C21H16FN3O/c24-17-13-18-16(22(27-26-18)20-11-14-5-1-2-6-19(14)31-20)12-15(17)23(30)25-8-4-10-28-9-3-7-21(28)29;2*24-20-12-21-19(11-18(20)23(28)25-13-17-6-3-9-29-17)22(27-26-21)16-8-7-14-4-1-2-5-15(14)10-16;1-11(2)17(10-26)23-21(27)13-8-14-16(9-15(13)22)24-25-20(14)19-7-12-5-3-4-6-18(12)28-19;22-18-11-19-17(10-16(18)21(26)23-15-7-8-15)20(25-24-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-2,5-6,11-13H,3-4,7-10H2,(H,25,30)(H,26,27);1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,25,28)(H,26,27);1-12H,13H2,(H,25,28)(H,26,27);3-9,11,17,26H,10H2,1-2H3,(H,23,27)(H,24,25);1-6,9-11,15H,7-8H2,(H,23,26)(H,24,25)/t;17-;;17-;/m.1.1./s1
• InChIKey: IOAMKKOOKCIIMQ-YTERUKJGSA-N
• XLogP: 22.55
• TPSA: 351.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1954.19
LogP ≤ 5	22.55
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?

The IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide (CID 158755586) is 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide.

What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?

The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC1CC1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCCCN1CCCC1=O)c1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(NC[C@H]1CCCO1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.O=C(NCc1ccco1)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F.

What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?

The InChIKey is IOAMKKOOKCIIMQ-YTERUKJGSA-N. The full InChI is InChI=1S/C23H21FN4O2S.C23H20FN3O2.C23H16FN3O2.C21H20FN3O2S.C21H16FN3O/c24-17-13-18-16(22(27-26-18)20-11-14-5-1-2-6-19(14)31-20)12-15(17)23(30)25-8-4-10-28-9-3-7-21(28)29;2*24-20-12-21-19(11-18(20)23(28)25-13-17-6-3-9-29-17)22(27-26-21)16-8-7-14-4-1-2-5-15(14)10-16;1-11(2)17(10-26)23-21(27)13-8-14-16(9-15(13)22)24-25-20(14)19-7-12-5-3-4-6-18(12)28-19;22-18-11-19-17(10-16(18)21(26)23-15-7-8-15)20(25-24-19)14-6-5-12-3-1-2-4-13(12)9-14/h1-2,5-6,11-13H,3-4,7-10H2,(H,25,30)(H,26,27);1-2,4-5,7-8,10-12,17H,3,6,9,13H2,(H,25,28)(H,26,27);1-12H,13H2,(H,25,28)(H,26,27);3-9,11,17,26H,10H2,1-2H3,(H,23,27)(H,24,25);1-6,9-11,15H,7-8H2,(H,23,26)(H,24,25)/t;17-;;17-;/m.1.1./s1.

What are the key properties of 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide?

3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide has a molecular weight of 1954.19 g/mol, XLogP of 22.55, 22 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzothiophen-2-yl)-6-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indazole-5-carboxamide;N-cyclopropyl-6-fluoro-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;6-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 158755586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).