3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide

C22H19N3O4S — CID 72628319

IUPAC3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3ccc(C(C)=O)s3)c12
InChIInChI=1S/C22H19N3O4S/c1-13(26)19-10-6-15(30-19)5-8-17-20-18(25-24-17)9-7-16(21(20)28-2)22(27)23-12-14-4-3-11-29-14/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyJPOJIILVZCJNRD-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.53
Rot. Bonds7

About 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide

3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide (PubChem CID 72628319) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
PubChem CID72628319
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3ccc(C(C)=O)s3)c12
InChIInChI=1S/C22H19N3O4S/c1-13(26)19-10-6-15(30-19)5-8-17-20-18(25-24-17)9-7-16(21(20)28-2)22(27)23-12-14-4-3-11-29-14/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyJPOJIILVZCJNRD-UHFFFAOYSA-N
XLogP4.53
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[[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
6-fluoro-N-(furan-2-ylmethyl)-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
CID 59796938
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796962
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 59796995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide?
The IUPAC name of 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide (CID 72628319) is 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide.
What is the SMILES notation for 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide?
The canonical SMILES for 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3ccc(C(C)=O)s3)c12.
What is the InChIKey of 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide?
The InChIKey is JPOJIILVZCJNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-13(26)19-10-6-15(30-19)5-8-17-20-18(25-24-17)9-7-16(21(20)28-2)22(27)23-12-14-4-3-11-29-14/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide?
3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-acetylthiophen-2-yl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide is sourced from PubChem (CID 72628319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).