2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine

C29H33F2N5 — CID 158402172

IUPAC2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
SMILESCC1(C)CCCc2nc(-c3cccc(F)c3)cn21.CC1(C)CNCc2nc(-c3cccc(F)c3)cn21
InChIInChI=1S/C15H17FN2.C14H16FN3/c1-15(2)8-4-7-14-17-13(10-18(14)15)11-5-3-6-12(16)9-11;1-14(2)9-16-7-13-17-12(8-18(13)14)10-4-3-5-11(15)6-10/h3,5-6,9-10H,4,7-8H2,1-2H3;3-6,8,16H,7,9H2,1-2H3
InChIKeyGYFWEUMDICUXKC-UHFFFAOYSA-N
MW489.61 g/mol
LogP6.29
Rot. Bonds2

About 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine

2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine (PubChem CID 158402172) has the molecular formula C29H33F2N5 and a molecular weight of 489.61 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
PubChem CID158402172
Molecular FormulaC29H33F2N5
Molecular Weight489.61 g/mol
Exact Mass489.27
IUPAC Name2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
SMILESCC1(C)CCCc2nc(-c3cccc(F)c3)cn21.CC1(C)CNCc2nc(-c3cccc(F)c3)cn21
InChIInChI=1S/C15H17FN2.C14H16FN3/c1-15(2)8-4-7-14-17-13(10-18(14)15)11-5-3-6-12(16)9-11;1-14(2)9-16-7-13-17-12(8-18(13)14)10-4-3-5-11(15)6-10/h3,5-6,9-10H,4,7-8H2,1-2H3;3-6,8,16H,7,9H2,1-2H3
InChIKeyGYFWEUMDICUXKC-UHFFFAOYSA-N
XLogP6.29
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.61
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine with MolForge

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Related Compounds

3-bromo-2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine
CID 58179009
2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-amine
CID 117128450
(7S)-2-(3-fluorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462538
1-[4-(3-fluorophenyl)-6-methylpyrimidin-2-yl]cyclobutane-1-carbonitrile
CID 116896126
methyl 2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6-carboxylate
CID 117128314
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 65462999
3-(3-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-ene-2-thione;hydrochloride
CID 171323348
3-[[[(1R)-1-[4-(3-fluorophenyl)-1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2,2-dimethylpropyl]amino]methyl]pyrrolidin-3-ol
CID 71273204
6-(3-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646686
3-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117149032
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
The IUPAC name of 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine (CID 158402172) is 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine is CC1(C)CCCc2nc(-c3cccc(F)c3)cn21.CC1(C)CNCc2nc(-c3cccc(F)c3)cn21.
What is the InChIKey of 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
The InChIKey is GYFWEUMDICUXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2.C14H16FN3/c1-15(2)8-4-7-14-17-13(10-18(14)15)11-5-3-6-12(16)9-11;1-14(2)9-16-7-13-17-12(8-18(13)14)10-4-3-5-11(15)6-10/h3,5-6,9-10H,4,7-8H2,1-2H3;3-6,8,16H,7,9H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine?
2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine has a molecular weight of 489.61 g/mol, XLogP of 6.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyrazine;2-(3-fluorophenyl)-5,5-dimethyl-7,8-dihydro-6H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 158402172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).