(Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide

C20H18N4O4 — CID 67205209

IUPAC(Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide
SMILESCOc1cc(-c2n[nH]c3ccc(/C=C(/C#N)C(N)=O)cc23)cc(OC)c1OC
InChIInChI=1S/C20H18N4O4/c1-26-16-8-12(9-17(27-2)19(16)28-3)18-14-7-11(4-5-15(14)23-24-18)6-13(10-21)20(22)25/h4-9H,1-3H3,(H2,22,25)(H,23,24)/b13-6-
InChIKeyIBUMAHMUIWPTCV-MLPAPPSSSA-N
MW378.39 g/mol
LogP2.65
Rot. Bonds6

About (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide

(Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide (PubChem CID 67205209) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide
PubChem CID67205209
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name(Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide
SMILESCOc1cc(-c2n[nH]c3ccc(/C=C(/C#N)C(N)=O)cc23)cc(OC)c1OC
InChIInChI=1S/C20H18N4O4/c1-26-16-8-12(9-17(27-2)19(16)28-3)18-14-7-11(4-5-15(14)23-24-18)6-13(10-21)20(22)25/h4-9H,1-3H3,(H2,22,25)(H,23,24)/b13-6-
InChIKeyIBUMAHMUIWPTCV-MLPAPPSSSA-N
XLogP2.65
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide with MolForge

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Related Compounds

2-[(3-methoxy-1H-indazol-5-yl)methylidene]-3-oxobutanenitrile
CID 70494999
(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 27060391
2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 78289437
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-methoxyacetate
CID 19184446
2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78565472
methyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3437873
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
2-cyano-3-[3-methoxy-4-(2-phenylethoxy)phenyl]prop-2-enamide
CID 71424089
(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938
2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4165571
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 6116921
(E)-2-benzoyl-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile
CID 5345651

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide (CID 67205209) is (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide is COc1cc(-c2n[nH]c3ccc(/C=C(/C#N)C(N)=O)cc23)cc(OC)c1OC.
What is the InChIKey of (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide?
The InChIKey is IBUMAHMUIWPTCV-MLPAPPSSSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-26-16-8-12(9-17(27-2)19(16)28-3)18-14-7-11(4-5-15(14)23-24-18)6-13(10-21)20(22)25/h4-9H,1-3H3,(H2,22,25)(H,23,24)/b13-6-.
What are the key properties of (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide?
(Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide has a molecular weight of 378.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enamide is sourced from PubChem (CID 67205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).