N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide

C20H17N3O3S — CID 59797392

IUPACN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccs3)c12
InChIInChI=1S/C20H17N3O3S/c1-25-19-15(20(24)21-12-13-4-2-10-26-13)7-9-17-18(19)16(22-23-17)8-6-14-5-3-11-27-14/h2-11H,12H2,1H3,(H,21,24)(H,22,23)/b8-6+
InChIKeyQMIYZHRGWPXLIE-SOFGYWHQSA-N
MW379.44 g/mol
LogP4.33
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide (PubChem CID 59797392) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
PubChem CID59797392
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccs3)c12
InChIInChI=1S/C20H17N3O3S/c1-25-19-15(20(24)21-12-13-4-2-10-26-13)7-9-17-18(19)16(22-23-17)8-6-14-5-3-11-27-14/h2-11H,12H2,1H3,(H,21,24)(H,22,23)/b8-6+
InChIKeyQMIYZHRGWPXLIE-SOFGYWHQSA-N
XLogP4.33
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide (CID 59797392) is N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2n[nH]c(/C=C/c3cccs3)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
The InChIKey is QMIYZHRGWPXLIE-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-19-15(20(24)21-12-13-4-2-10-26-13)7-9-17-18(19)16(22-23-17)8-6-14-5-3-11-27-14/h2-11H,12H2,1H3,(H,21,24)(H,22,23)/b8-6+.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.33, 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-[(E)-2-thiophen-2-ylethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 59797392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).