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

C22H20N4O3 — CID 59797353

IUPAC3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccc(N)cc3)c12
InChIInChI=1S/C22H20N4O3/c1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26)/b10-6+
InChIKeyBONNIAAWLSCFBO-UXBLZVDNSA-N
MW388.43 g/mol
LogP3.85
Rot. Bonds6

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

3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 59797353) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID59797353
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccc(N)cc3)c12
InChIInChI=1S/C22H20N4O3/c1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26)/b10-6+
InChIKeyBONNIAAWLSCFBO-UXBLZVDNSA-N
XLogP3.85
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 59797353) is 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccco2)ccc2[nH]nc(/C=C/c3ccc(N)cc3)c12.
What is the InChIKey of 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is BONNIAAWLSCFBO-UXBLZVDNSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-21-17(22(27)24-13-16-3-2-12-29-16)9-11-19-20(21)18(25-26-19)10-6-14-4-7-15(23)8-5-14/h2-12H,13,23H2,1H3,(H,24,27)(H,25,26)/b10-6+.
What are the key properties of 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-aminophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).