(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine

C24H30FN5O — CID 155471575

IUPAC(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine
SMILESC/C=N/N(C)/C(C)=C(\C)CCOc1cc(F)ccc1-c1ccc2ncc(CNC)n2c1
InChIInChI=1S/C24H30FN5O/c1-6-28-29(5)18(3)17(2)11-12-31-23-13-20(25)8-9-22(23)19-7-10-24-27-15-21(14-26-4)30(24)16-19/h6-10,13,15-16,26H,11-12,14H2,1-5H3/b18-17+,28-6+
InChIKeyCOOGFNBYUCTTDD-JRGKCWCFSA-N
MW423.54 g/mol
LogP4.86
Rot. Bonds9

About (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine

(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine (PubChem CID 155471575) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine.

Molecular Properties

Compound Name(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine
PubChem CID155471575
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC Name(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine
SMILESC/C=N/N(C)/C(C)=C(\C)CCOc1cc(F)ccc1-c1ccc2ncc(CNC)n2c1
InChIInChI=1S/C24H30FN5O/c1-6-28-29(5)18(3)17(2)11-12-31-23-13-20(25)8-9-22(23)19-7-10-24-27-15-21(14-26-4)30(24)16-19/h6-10,13,15-16,26H,11-12,14H2,1-5H3/b18-17+,28-6+
InChIKeyCOOGFNBYUCTTDD-JRGKCWCFSA-N
XLogP4.86
TPSA54.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine?
The IUPAC name of (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine (CID 155471575) is (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine.
What is the SMILES notation for (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine?
The canonical SMILES for (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine is C/C=N/N(C)/C(C)=C(\C)CCOc1cc(F)ccc1-c1ccc2ncc(CNC)n2c1.
What is the InChIKey of (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine?
The InChIKey is COOGFNBYUCTTDD-JRGKCWCFSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-6-28-29(5)18(3)17(2)11-12-31-23-13-20(25)8-9-22(23)19-7-10-24-27-15-21(14-26-4)30(24)16-19/h6-10,13,15-16,26H,11-12,14H2,1-5H3/b18-17+,28-6+.
What are the key properties of (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine?
(E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine has a molecular weight of 423.54 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-ethylideneamino]-5-[5-fluoro-2-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]-N,3-dimethylpent-2-en-2-amine is sourced from PubChem (CID 155471575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).