3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide

C23H19N3O2S2 — CID 23589747

IUPAC3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2cccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C23H19N3O2S2/c1-28-22-16(23(27)24-11-10-15-6-4-12-29-15)8-9-17-20(22)21(26-25-17)19-13-14-5-2-3-7-18(14)30-19/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyYHXJGYHWPHANEM-UHFFFAOYSA-N
MW433.56 g/mol
LogP5.49
Rot. Bonds6

About 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (PubChem CID 23589747) has the molecular formula C23H19N3O2S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
PubChem CID23589747
Molecular FormulaC23H19N3O2S2
Molecular Weight433.56 g/mol
Exact Mass433.09
IUPAC Name3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCCc2cccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C23H19N3O2S2/c1-28-22-16(23(27)24-11-10-15-6-4-12-29-15)8-9-17-20(22)21(26-25-17)19-13-14-5-2-3-7-18(14)30-19/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26)
InChIKeyYHXJGYHWPHANEM-UHFFFAOYSA-N
XLogP5.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.56
LogP ≤ 55.49
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)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide (CID 23589747) is 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCCc2cccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
The InChIKey is YHXJGYHWPHANEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S2/c1-28-22-16(23(27)24-11-10-15-6-4-12-29-15)8-9-17-20(22)21(26-25-17)19-13-14-5-2-3-7-18(14)30-19/h2-9,12-13H,10-11H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 5.49, 6 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)-4-methoxy-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).