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

C22H17N3O3S — CID 23589772

IUPAC3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1ccco1
InChIInChI=1S/C22H17N3O3S/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)
InChIKeyWIJZMZHZYREMHW-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.98
Rot. Bonds5

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

3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589772) 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)-6-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
PubChem CID23589772
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC Name3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
SMILESCOc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1ccco1
InChIInChI=1S/C22H17N3O3S/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)
InChIKeyWIJZMZHZYREMHW-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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Related Compounds

N-[cyclopentyl(thiophen-3-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 89971805
N-[cyclobutyl(thiophen-3-yl)methyl]-3-[4-[[(1S,5R)-8-formyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]-1H-indazole-5-carboxamide
CID 117737852
[7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 42362129
3-[(E)-2-(4-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-N-(furan-2-ylmethyl)-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide
CID 163665992
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
CID 22260762
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589703
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide
CID 23589705
3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589715
3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589716
3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589745
3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589759
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 57584849

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide (CID 23589772) is 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide is COc1cc2[nH]nc(-c3cc4ccccc4s3)c2cc1C(=O)NCc1ccco1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
The InChIKey is WIJZMZHZYREMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/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)-N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-N-(furan-2-ylmethyl)-6-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)-6-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).