N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide

C22H19N3O3 — CID 59797360

IUPACN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccccc3)c12
InChIInChI=1S/C22H19N3O3/c1-27-21-17(22(26)23-14-16-8-5-13-28-16)10-12-19-20(21)18(24-25-19)11-9-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b11-9+
InChIKeyHKUPXNMSOXLTMK-PKNBQFBNSA-N
MW373.41 g/mol
LogP4.26
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide (PubChem CID 59797360) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide
PubChem CID59797360
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccccc3)c12
InChIInChI=1S/C22H19N3O3/c1-27-21-17(22(26)23-14-16-8-5-13-28-16)10-12-19-20(21)18(24-25-19)11-9-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b11-9+
InChIKeyHKUPXNMSOXLTMK-PKNBQFBNSA-N
XLogP4.26
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide (CID 59797360) is N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccccc3)c12.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
The InChIKey is HKUPXNMSOXLTMK-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-21-17(22(26)23-14-16-8-5-13-28-16)10-12-19-20(21)18(24-25-19)11-9-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,23,26)(H,24,25)/b11-9+.
What are the key properties of N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-phenylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).