2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol

C25H30N6O — CID 156887697

IUPAC2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
SMILESC=C/C(=N\N=C(/C)N1CCNCC1)c1ccc(-c2cc(CC)c3nc(C)cn3c2)cc1O
InChIInChI=1S/C25H30N6O/c1-5-19-13-21(16-31-15-17(3)27-25(19)31)20-7-8-22(24(32)14-20)23(6-2)29-28-18(4)30-11-9-26-10-12-30/h6-8,13-16,26,32H,2,5,9-12H2,1,3-4H3/b28-18+,29-23+
InChIKeyMKNPZAGMJXSJSE-GWYVRFCQSA-N
MW430.56 g/mol
LogP3.79
Rot. Bonds5

About 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol

2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol (PubChem CID 156887697) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol.

Molecular Properties

Compound Name2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
PubChem CID156887697
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol
SMILESC=C/C(=N\N=C(/C)N1CCNCC1)c1ccc(-c2cc(CC)c3nc(C)cn3c2)cc1O
InChIInChI=1S/C25H30N6O/c1-5-19-13-21(16-31-15-17(3)27-25(19)31)20-7-8-22(24(32)14-20)23(6-2)29-28-18(4)30-11-9-26-10-12-30/h6-8,13-16,26,32H,2,5,9-12H2,1,3-4H3/b28-18+,29-23+
InChIKeyMKNPZAGMJXSJSE-GWYVRFCQSA-N
XLogP3.79
TPSA77.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

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
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
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
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
2-[(E)-N-[(E)-1-(3,3-dimethylpiperazin-1-yl)ethylideneamino]-C-ethenylcarbonimidoyl]-5-[(Z)-1-methyliminobut-2-en-2-yl]phenol
CID 156888013
6-(2-ethyl-6-piperazin-1-yl-3-pyridinyl)-2,8-dimethylimidazo[1,2-a]pyridine
CID 163875877
4-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 82063350
(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
N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 176905950
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166522206

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The IUPAC name of 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) is 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol.
What is the SMILES notation for 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The canonical SMILES for 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol is C=C/C(=N\N=C(/C)N1CCNCC1)c1ccc(-c2cc(CC)c3nc(C)cn3c2)cc1O.
What is the InChIKey of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
The InChIKey is MKNPZAGMJXSJSE-GWYVRFCQSA-N. The full InChI is InChI=1S/C25H30N6O/c1-5-19-13-21(16-31-15-17(3)27-25(19)31)20-7-8-22(24(32)14-20)23(6-2)29-28-18(4)30-11-9-26-10-12-30/h6-8,13-16,26,32H,2,5,9-12H2,1,3-4H3/b28-18+,29-23+.
What are the key properties of 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol?
2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol has a molecular weight of 430.56 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-C-ethenyl-N-[(E)-1-piperazin-1-ylethylideneamino]carbonimidoyl]-5-(8-ethyl-2-methylimidazo[1,2-a]pyridin-6-yl)phenol is sourced from PubChem (CID 156887697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).