2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine

C18H23FN6 — CID 156888209

IUPAC2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine
SMILESC=NN(C)/C=C1/C=CC(N)=C(F)C1.Cc1cn2cc(N)cc(C)c2n1
InChIInChI=1S/C9H12FN3.C9H11N3/c1-12-13(2)6-7-3-4-9(11)8(10)5-7;1-6-3-8(10)5-12-4-7(2)11-9(6)12/h3-4,6H,1,5,11H2,2H3;3-5H,10H2,1-2H3/b7-6-;
InChIKeyKSOMWQAWYRAMPH-NAFXZHHSSA-N
MW342.42 g/mol
LogP3.05
Rot. Bonds2

About 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine

2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine (PubChem CID 156888209) has the molecular formula C18H23FN6 and a molecular weight of 342.42 g/mol. Its IUPAC name is 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine
PubChem CID156888209
Molecular FormulaC18H23FN6
Molecular Weight342.42 g/mol
Exact Mass342.20
IUPAC Name2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine
SMILESC=NN(C)/C=C1/C=CC(N)=C(F)C1.Cc1cn2cc(N)cc(C)c2n1
InChIInChI=1S/C9H12FN3.C9H11N3/c1-12-13(2)6-7-3-4-9(11)8(10)5-7;1-6-3-8(10)5-12-4-7(2)11-9(6)12/h3-4,6H,1,5,11H2,2H3;3-5H,10H2,1-2H3/b7-6-;
InChIKeyKSOMWQAWYRAMPH-NAFXZHHSSA-N
XLogP3.05
TPSA84.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
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'}

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Related Compounds

8-fluoro-2-methylimidazo[1,2-a]pyridin-6-amine;dihydrochloride
CID 167500561
8-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-amine
CID 112555669
8-methoxy-2-methylimidazo[1,2-a]pyridin-6-amine
CID 83520319
8-cyclopropyl-2-methylimidazo[1,2-a]pyridin-6-amine;ethane
CID 177040755
8-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-6-amine
CID 112555626
2-cyclohexyl-8-methylimidazo[1,2-a]pyridin-6-amine
CID 112555615
8-methyl-2-(2,4,6-trimethylphenyl)imidazo[1,2-a]pyridin-6-amine
CID 115910852
8-fluoro-2-methylimidazo[1,2-a]pyridin-6-amine;7-fluoro-2-methylindazol-5-amine
CID 156888280
2-(2,4-dichlorophenyl)-8-methylimidazo[1,2-a]pyridin-6-amine
CID 82059059
2,3,8-trimethylimidazo[1,2-a]pyridin-6-amine
CID 82059110
2,8-dimethylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 83967374
8-fluoro-6-(2-fluorophenyl)-2-methylimidazo[1,2-a]pyridine
CID 175581165

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine (CID 156888209) is 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine is C=NN(C)/C=C1/C=CC(N)=C(F)C1.Cc1cn2cc(N)cc(C)c2n1.
What is the InChIKey of 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine?
The InChIKey is KSOMWQAWYRAMPH-NAFXZHHSSA-N. The full InChI is InChI=1S/C9H12FN3.C9H11N3/c1-12-13(2)6-7-3-4-9(11)8(10)5-7;1-6-3-8(10)5-12-4-7(2)11-9(6)12/h3-4,6H,1,5,11H2,2H3;3-5H,10H2,1-2H3/b7-6-;.
What are the key properties of 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine?
2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine has a molecular weight of 342.42 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethylimidazo[1,2-a]pyridin-6-amine;(4E)-2-fluoro-4-[[methyl-(methylideneamino)amino]methylidene]cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 156888209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).