2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one

C25H27ClFN3O — CID 58179211

IUPAC2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one
SMILESCC1(C)c2nc(-c3ccc(F)cc3)cn2CCC1C(=O)C(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C25H27ClFN3O/c1-25(2)20(23(31)21(28)12-5-16-3-8-18(26)9-4-16)13-14-30-15-22(29-24(25)30)17-6-10-19(27)11-7-17/h3-4,6-11,15,20-21H,5,12-14,28H2,1-2H3
InChIKeyZQZOFRMRVANNKA-UHFFFAOYSA-N
MW439.96 g/mol
LogP5.17
Rot. Bonds6

About 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one

2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one (PubChem CID 58179211) has the molecular formula C25H27ClFN3O and a molecular weight of 439.96 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one
PubChem CID58179211
Molecular FormulaC25H27ClFN3O
Molecular Weight439.96 g/mol
Exact Mass439.18
IUPAC Name2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one
SMILESCC1(C)c2nc(-c3ccc(F)cc3)cn2CCC1C(=O)C(N)CCc1ccc(Cl)cc1
InChIInChI=1S/C25H27ClFN3O/c1-25(2)20(23(31)21(28)12-5-16-3-8-18(26)9-4-16)13-14-30-15-22(29-24(25)30)17-6-10-19(27)11-7-17/h3-4,6-11,15,20-21H,5,12-14,28H2,1-2H3
InChIKeyZQZOFRMRVANNKA-UHFFFAOYSA-N
XLogP5.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-propylacetamide
CID 10782473
2-[2-(4-chlorophenyl)-8-(methylamino)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10787073
N-Cyclohexyl-2-[6,8-dichloro-2-(4-chloro-phenyl)-imidazo[1,2-a]pyridin-3-yl]-acetamide
CID 11430521
Imidazo(1,2-a)pyridine-3-acetamide, 2-(p-chlorophenyl)-
CID 89056
2-(4-chlorophenyl)-N-[1-[2-(4-fluoroanilino)pyrimidin-4-yl]pyrrolidin-3-yl]propanamide
CID 44525924
(S)-N-(1-(5-(4-chlorophenyl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylpiperidine-4-carboxamide
CID 44589557
(7R)-7-(3-aminopropyl)-3-[3-(2,4-dichlorophenyl)phenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
CID 90655311
N-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-2-(4-phenylphenyl)acetamide
CID 90682972
(R)-2-amino-3-(4-chlorophenyl)-1-(4-(imidazo[1,2-a]pyridin-3-yl)piperazin-1-yl)propan-1-one
CID 52948731
N-[(4-Chlorophenyl)methyl]-3-{[2-(3-fluorophenyl)imidazo[1,2-A]pyrazin-3-YL]amino}propanamide
CID 53040040
1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 75411339
N-tert-butyl-2-(4-chlorophenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 122177348

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one (CID 58179211) is 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one is CC1(C)c2nc(-c3ccc(F)cc3)cn2CCC1C(=O)C(N)CCc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one?
The InChIKey is ZQZOFRMRVANNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O/c1-25(2)20(23(31)21(28)12-5-16-3-8-18(26)9-4-16)13-14-30-15-22(29-24(25)30)17-6-10-19(27)11-7-17/h3-4,6-11,15,20-21H,5,12-14,28H2,1-2H3.
What are the key properties of 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one?
2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one has a molecular weight of 439.96 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-1-[2-(4-fluorophenyl)-8,8-dimethyl-6,7-dihydro-5H-imidazo[1,2-a]pyridin-7-yl]butan-1-one is sourced from PubChem (CID 58179211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).