3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide

C23H19N3O3S — CID 23589755

IUPAC3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C23H19N3O3S/c1-13-7-8-15(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/h3-11H,12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJVSIYXKGPKXEEH-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.28
Rot. Bonds5

About 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide

3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide (PubChem CID 23589755) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
PubChem CID23589755
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C23H19N3O3S/c1-13-7-8-15(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/h3-11H,12H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJVSIYXKGPKXEEH-UHFFFAOYSA-N
XLogP5.28
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.28
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-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide (CID 23589755) is 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccc(C)o2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is JVSIYXKGPKXEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-13-7-8-15(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/h3-11H,12H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 5.28, 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)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).