2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol

C22H25N7O — CID 156887987

IUPAC2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESC=C/C(=N\N=C(/C)N1CCNCC1)c1ccc(-c2ccc3nc(C)nn3c2)cc1O
InChIInChI=1S/C22H25N7O/c1-4-20(26-25-16(3)28-11-9-23-10-12-28)19-7-5-17(13-21(19)30)18-6-8-22-24-15(2)27-29(22)14-18/h4-8,13-14,23,30H,1,9-12H2,2-3H3/b25-16+,26-20+
InChIKeyDIFRRSLTSCGHFO-UKJOURECSA-N
MW403.49 g/mol
LogP2.62
Rot. Bonds4

About 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol

2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (PubChem CID 156887987) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
PubChem CID156887987
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol
SMILESC=C/C(=N\N=C(/C)N1CCNCC1)c1ccc(-c2ccc3nc(C)nn3c2)cc1O
InChIInChI=1S/C22H25N7O/c1-4-20(26-25-16(3)28-11-9-23-10-12-28)19-7-5-17(13-21(19)30)18-6-8-22-24-15(2)27-29(22)14-18/h4-8,13-14,23,30H,1,9-12H2,2-3H3/b25-16+,26-20+
InChIKeyDIFRRSLTSCGHFO-UKJOURECSA-N
XLogP2.62
TPSA90.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
CID 156887697
2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-[(3Z)-3-ethylidene-5-methyl-4-methyliminocyclohexa-1,5-dien-1-yl]phenol
CID 156887646
2-[(E)-N-[(E)-1-(2,9-diazaspiro[5.5]undecan-9-yl)ethylideneamino]-C-ethenylcarbonimidoyl]-5-(1H-pyrazol-4-yl)phenol
CID 153348753
ethane;2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-[N-methyl-C-(methyliminomethyl)carbonimidoyl]phenol;propane
CID 156887557
cyclobutane;ethane;2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-[(Z)-1-methyliminopent-2-en-2-yl]phenol;propane
CID 156887332
2-[(E)-C-ethyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(1H-pyrazol-4-yl)phenol
CID 156887981
2-[(E)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)ethylideneamino]-C-ethenylcarbonimidoyl]-5-[(Z)-1-methyliminobut-2-en-2-yl]phenol
CID 156888013
ethane;2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-3-methyl-5-[(3E)-penta-1,3-dien-3-yl]phenol;2-methylpropane;propane
CID 156887857
6-(3,4-dimethoxyphenyl)-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155964904
(E)-N-[(E)-1-(4,7-diazaspiro[2.5]octan-7-yl)ethylideneamino]-1-[4-(5-fluoro-1H-pyrazol-4-yl)-2-methylphenyl]prop-2-en-1-imine
CID 156887824
2-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121495759
2-methyl-6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126425290

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The IUPAC name of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol (CID 156887987) is 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol.
What is the SMILES notation for 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The canonical SMILES for 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is C=C/C(=N\N=C(/C)N1CCNCC1)c1ccc(-c2ccc3nc(C)nn3c2)cc1O.
What is the InChIKey of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
The InChIKey is DIFRRSLTSCGHFO-UKJOURECSA-N. The full InChI is InChI=1S/C22H25N7O/c1-4-20(26-25-16(3)28-11-9-23-10-12-28)19-7-5-17(13-21(19)30)18-6-8-22-24-15(2)27-29(22)14-18/h4-8,13-14,23,30H,1,9-12H2,2-3H3/b25-16+,26-20+.
What are the key properties of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol?
2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol has a molecular weight of 403.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenol is sourced from PubChem (CID 156887987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).