3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide

C114H104N16O14S5 — CID 158037919

IUPAC3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccc(C)o2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1cccc(CNC(=O)c2ccc3n[nH]c(-c4cc5ccccc5s4)c3c2OC)c1
InChIInChI=1S/C25H21N3O3S.C24H24N4O3S.C23H19N3O3S.C22H23N3O3S.C20H17N3O2S/c1-30-17-8-5-6-15(12-17)14-26-25(29)18-10-11-19-22(24(18)31-2)23(28-27-19)21-13-16-7-3-4-9-20(16)32-21;1-31-23-16(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;1-13-7-8-15(29-13)12-24-23(27)16-9-10-17-20(22(16)28-2)21(26-25-17)19-11-14-5-3-4-6-18(14)30-19;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;1-25-19-13(20(24)21-12-6-7-12)8-9-14-17(19)18(23-22-14)16-10-11-4-2-3-5-15(11)26-16/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28);2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27);3-11H,12H2,1-2H3,(H,24,27)(H,25,26);4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23)/t;;;16-;/m...1./s1
InChIKeyFHZKGEZYAGLGAJ-SWDNXIDPSA-N
MW2082.52 g/mol
LogP23.42
Rot. Bonds28

About 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (PubChem CID 158037919) has the molecular formula C114H104N16O14S5 and a molecular weight of 2082.52 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
PubChem CID158037919
Molecular FormulaC114H104N16O14S5
Molecular Weight2082.52 g/mol
Exact Mass2080.65
IUPAC Name3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccc(C)o2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1cccc(CNC(=O)c2ccc3n[nH]c(-c4cc5ccccc5s4)c3c2OC)c1
InChIInChI=1S/C25H21N3O3S.C24H24N4O3S.C23H19N3O3S.C22H23N3O3S.C20H17N3O2S/c1-30-17-8-5-6-15(12-17)14-26-25(29)18-10-11-19-22(24(18)31-2)23(28-27-19)21-13-16-7-3-4-9-20(16)32-21;1-31-23-16(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;1-13-7-8-15(29-13)12-24-23(27)16-9-10-17-20(22(16)28-2)21(26-25-17)19-11-14-5-3-4-6-18(14)30-19;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;1-25-19-13(20(24)21-12-6-7-12)8-9-14-17(19)18(23-22-14)16-10-11-4-2-3-5-15(11)26-16/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28);2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27);3-11H,12H2,1-2H3,(H,24,27)(H,25,26);4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23)/t;;;16-;/m...1./s1
InChIKeyFHZKGEZYAGLGAJ-SWDNXIDPSA-N
XLogP23.42
TPSA397.96 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds28
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.52
LogP ≤ 523.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide (CID 158037919) is 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCCCN2CCCC2=O)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)NCc2ccc(C)o2)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1c(C(=O)N[C@H](CO)C(C)C)ccc2n[nH]c(-c3cc4ccccc4s3)c12.COc1cccc(CNC(=O)c2ccc3n[nH]c(-c4cc5ccccc5s4)c3c2OC)c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
The InChIKey is FHZKGEZYAGLGAJ-SWDNXIDPSA-N. The full InChI is InChI=1S/C25H21N3O3S.C24H24N4O3S.C23H19N3O3S.C22H23N3O3S.C20H17N3O2S/c1-30-17-8-5-6-15(12-17)14-26-25(29)18-10-11-19-22(24(18)31-2)23(28-27-19)21-13-16-7-3-4-9-20(16)32-21;1-31-23-16(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;1-13-7-8-15(29-13)12-24-23(27)16-9-10-17-20(22(16)28-2)21(26-25-17)19-11-14-5-3-4-6-18(14)30-19;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;1-25-19-13(20(24)21-12-6-7-12)8-9-14-17(19)18(23-22-14)16-10-11-4-2-3-5-15(11)26-16/h3-13H,14H2,1-2H3,(H,26,29)(H,27,28);2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,25,30)(H,26,27);3-11H,12H2,1-2H3,(H,24,27)(H,25,26);4-10,12,16,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-5,8-10,12H,6-7H2,1H3,(H,21,24)(H,22,23)/t;;;16-;/m...1./s1.
What are the key properties of 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide has a molecular weight of 2082.52 g/mol, XLogP of 23.42, 28 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 158037919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).