(E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide

C15H11N5O2 — CID 78341175

IUPAC(E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cccc3[nH]nc(N)c23)o1)C(N)=O
InChIInChI=1S/C15H11N5O2/c16-7-8(15(18)21)6-9-4-5-12(22-9)10-2-1-3-11-13(10)14(17)20-19-11/h1-6H,(H2,18,21)(H3,17,19,20)/b8-6+
InChIKeyRQPJSIHDZXAUCJ-SOFGYWHQSA-N
MW293.29 g/mol
LogP1.80
Rot. Bonds3

About (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide

(E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide (PubChem CID 78341175) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide
PubChem CID78341175
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name(E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide
SMILESN#C/C(=C\c1ccc(-c2cccc3[nH]nc(N)c23)o1)C(N)=O
InChIInChI=1S/C15H11N5O2/c16-7-8(15(18)21)6-9-4-5-12(22-9)10-2-1-3-11-13(10)14(17)20-19-11/h1-6H,(H2,18,21)(H3,17,19,20)/b8-6+
InChIKeyRQPJSIHDZXAUCJ-SOFGYWHQSA-N
XLogP1.80
TPSA134.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[6-(furan-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539609
5-amino-3-{1-cyano-2-[5-(2-methyl-5-nitrophenyl)-2-furyl]vinyl}-1H-pyrazole-4-carbonitrile
CID 5337472
5-amino-3-(1-cyano-2-(5-(3-nitrophenyl)furan-2-yl)vinyl)-1H-pyrazole-4-carbonitrile
CID 5291130
N-ethyl-3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-3-methylbutanamide
CID 123215598
1-[1-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]cyclopropyl]propan-2-one
CID 123555659
4,5,5,5-tetrafluoro-4-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]pentan-2-one
CID 123765753
3-amino-5-[(Z)-1-cyano-2-(5-phenylfuran-2-yl)ethenyl]-1H-pyrazole-4-carbonitrile
CID 5766770
3-(5-(1H-Indazol-4-yl)furan-2-yl)-2-cyanoacrylamide
CID 78341197
6-Furoyl-aminoindazole
CID 129689897
4-fluoro-6-(furan-2-yl)-3-methyl-2H-indazole
CID 168526656
4-fluoro-6-(5-methylfuran-2-yl)-1H-indazol-3-amine
CID 178389600
6-(furan-3-yl)-1H-indazol-3-amine
CID 22319526

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide?
The IUPAC name of (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide (CID 78341175) is (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide.
What is the SMILES notation for (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide?
The canonical SMILES for (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide is N#C/C(=C\c1ccc(-c2cccc3[nH]nc(N)c23)o1)C(N)=O.
What is the InChIKey of (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide?
The InChIKey is RQPJSIHDZXAUCJ-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H11N5O2/c16-7-8(15(18)21)6-9-4-5-12(22-9)10-2-1-3-11-13(10)14(17)20-19-11/h1-6H,(H2,18,21)(H3,17,19,20)/b8-6+.
What are the key properties of (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide?
(E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide has a molecular weight of 293.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(3-amino-1H-indazol-4-yl)furan-2-yl]-2-cyanoprop-2-enamide is sourced from PubChem (CID 78341175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).