3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

C22H17N3O2S2 — CID 23589764

IUPAC3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1cccs1
InChIInChI=1S/C22H17N3O2S2/c1-27-18-11-17-15(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/h2-11H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyGMYRWJQXIGKPSO-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.44
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589764) has the molecular formula C22H17N3O2S2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589764
Molecular FormulaC22H17N3O2S2
Molecular Weight419.53 g/mol
Exact Mass419.08
IUPAC Name3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1cccs1
InChIInChI=1S/C22H17N3O2S2/c1-27-18-11-17-15(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/h2-11H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyGMYRWJQXIGKPSO-UHFFFAOYSA-N
XLogP5.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589764) is 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)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1cccs1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is GMYRWJQXIGKPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S2/c1-27-18-11-17-15(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/h2-11H,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-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 419.53 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-6-methoxy-N-(thiophen-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).