3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C112H101N15O13S6 — CID 158003388

IUPAC3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CCCO1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1cccs1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)C(C)C.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C25H21N3O3S.C22H21N3O3S.C22H23N3O3S.C22H17N3O2S2.C21H19N3O2S/c1-31-21-13-19-17(24(28-27-19)23-11-16-9-5-6-10-22(16)32-23)12-18(21)25(30)26-20(14-29)15-7-3-2-4-8-15;1-27-18-11-17-15(10-16(18)22(26)23-12-14-6-4-8-28-14)21(25-24-17)20-9-13-5-2-3-7-19(13)29-20;1-12(2)17(11-26)23-22(27)15-9-14-16(10-18(15)28-3)24-25-21(14)20-8-13-6-4-5-7-19(13)29-20;1-27-18-11-17-15(10-16(18)22(26)23-12-14-6-4-8-28-14)21(25-24-17)20-9-13-5-2-3-7-19(13)29-20;1-26-17-10-16-14(9-15(17)21(25)22-11-12-6-7-12)20(24-23-16)19-8-13-4-2-3-5-18(13)27-19/h2-13,20,29H,14H2,1H3,(H,26,30)(H,27,28);2-3,5,7,9-11,14H,4,6,8,12H2,1H3,(H,23,26)(H,24,25);4-10,12,17,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24)/t20-;;17-;;/m1.1../s1
InChIKeyFDZPLBTUDKQFOP-IHXQWOQUSA-N
MW2057.53 g/mol
LogP23.52
Rot. Bonds27

About 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 158003388) has the molecular formula C112H101N15O13S6 and a molecular weight of 2057.53 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID158003388
Molecular FormulaC112H101N15O13S6
Molecular Weight2057.53 g/mol
Exact Mass2055.60
IUPAC Name3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CCCO1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1cccs1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)C(C)C.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)c1ccccc1
InChIInChI=1S/C25H21N3O3S.C22H21N3O3S.C22H23N3O3S.C22H17N3O2S2.C21H19N3O2S/c1-31-21-13-19-17(24(28-27-19)23-11-16-9-5-6-10-22(16)32-23)12-18(21)25(30)26-20(14-29)15-7-3-2-4-8-15;1-27-18-11-17-15(10-16(18)22(26)23-12-14-6-4-8-28-14)21(25-24-17)20-9-13-5-2-3-7-19(13)29-20;1-12(2)17(11-26)23-22(27)15-9-14-16(10-18(15)28-3)24-25-21(14)20-8-13-6-4-5-7-19(13)29-20;1-27-18-11-17-15(10-16(18)22(26)23-12-14-6-4-8-28-14)21(25-24-17)20-9-13-5-2-3-7-19(13)29-20;1-26-17-10-16-14(9-15(17)21(25)22-11-12-6-7-12)20(24-23-16)19-8-13-4-2-3-5-18(13)27-19/h2-13,20,29H,14H2,1H3,(H,26,30)(H,27,28);2-3,5,7,9-11,14H,4,6,8,12H2,1H3,(H,23,26)(H,24,25);4-10,12,17,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24)/t20-;;17-;;/m1.1../s1
InChIKeyFDZPLBTUDKQFOP-IHXQWOQUSA-N
XLogP23.52
TPSA384.74 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002057.53
LogP ≤ 523.52
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide with MolForge

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Related Compounds

N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160081203
N-cyclopropyl-3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
CID 160581110
3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589747
3-(1-benzothiophen-2-yl)-4-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589752
3-(1-benzothiophen-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589756
3-(1-benzothiophen-2-yl)-6-methoxy-N-(2-oxooxolan-3-yl)-1H-indazole-5-carboxamide
CID 23589763
3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589764
3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589765
3-(1-benzothiophen-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589769
3-(1-benzothiophen-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589770
3-(1-benzothiophen-2-yl)-N-cyclopropyl-6-methoxy-1H-indazole-5-carboxamide
CID 23589779
3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589781

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 158003388) is 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CC1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCC1CCCO1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1cccs1.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)C(C)C.COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)N[C@H](CO)c1ccccc1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is FDZPLBTUDKQFOP-IHXQWOQUSA-N. The full InChI is InChI=1S/C25H21N3O3S.C22H21N3O3S.C22H23N3O3S.C22H17N3O2S2.C21H19N3O2S/c1-31-21-13-19-17(24(28-27-19)23-11-16-9-5-6-10-22(16)32-23)12-18(21)25(30)26-20(14-29)15-7-3-2-4-8-15;1-27-18-11-17-15(10-16(18)22(26)23-12-14-6-4-8-28-14)21(25-24-17)20-9-13-5-2-3-7-19(13)29-20;1-12(2)17(11-26)23-22(27)15-9-14-16(10-18(15)28-3)24-25-21(14)20-8-13-6-4-5-7-19(13)29-20;1-27-18-11-17-15(10-16(18)22(26)23-12-14-6-4-8-28-14)21(25-24-17)20-9-13-5-2-3-7-19(13)29-20;1-26-17-10-16-14(9-15(17)21(25)22-11-12-6-7-12)20(24-23-16)19-8-13-4-2-3-5-18(13)27-19/h2-13,20,29H,14H2,1H3,(H,26,30)(H,27,28);2-3,5,7,9-11,14H,4,6,8,12H2,1H3,(H,23,26)(H,24,25);4-10,12,17,26H,11H2,1-3H3,(H,23,27)(H,24,25);2-11H,12H2,1H3,(H,23,26)(H,24,25);2-5,8-10,12H,6-7,11H2,1H3,(H,22,25)(H,23,24)/t20-;;17-;;/m1.1../s1.
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 2057.53 g/mol, XLogP of 23.52, 27 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-N-(cyclopropylmethyl)-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methoxy-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide;3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 158003388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).