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

C21H19N3O3S — CID 72628172

IUPACN-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3sccc3C)c12
InChIInChI=1S/C21H19N3O3S/c1-13-9-11-28-18(13)8-7-17-19-16(23-24-17)6-5-15(20(19)26-2)21(25)22-12-14-4-3-10-27-14/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIFQQHQKHGRZGKP-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.63
Rot. Bonds6

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

N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide (PubChem CID 72628172) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
PubChem CID72628172
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3sccc3C)c12
InChIInChI=1S/C21H19N3O3S/c1-13-9-11-28-18(13)8-7-17-19-16(23-24-17)6-5-15(20(19)26-2)21(25)22-12-14-4-3-10-27-14/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIFQQHQKHGRZGKP-UHFFFAOYSA-N
XLogP4.63
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.63
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
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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide (CID 72628172) is N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(C=Cc3sccc3C)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide?
The InChIKey is IFQQHQKHGRZGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-9-11-28-18(13)8-7-17-19-16(23-24-17)6-5-15(20(19)26-2)21(25)22-12-14-4-3-10-27-14/h3-11H,12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-3-[2-(3-methylthiophen-2-yl)ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 72628172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).