3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide

C22H17N3O3S — CID 23589771

IUPAC3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C22H17N3O3S/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-11H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyLZWWSNJWBMMGIT-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.98
Rot. Bonds5

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

3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589771) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID23589771
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C22H17N3O3S/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-11H,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyLZWWSNJWBMMGIT-UHFFFAOYSA-N
XLogP4.98
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.98
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)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 23589771) is 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is LZWWSNJWBMMGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-11H,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.98, 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)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).