8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

C12H16F3N3O — CID 82626218

IUPAC8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(CCCN)c(C(F)(F)F)cc2=O
InChIInChI=1S/C12H16F3N3O/c1-17-5-6-18-10(19)7-9(12(13,14)15)8(11(17)18)3-2-4-16/h7H,2-6,16H2,1H3
InChIKeyHCYFZCIODBBRKG-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.21
Rot. Bonds3

About 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one

8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (PubChem CID 82626218) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
PubChem CID82626218
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
SMILESCN1CCn2c1c(CCCN)c(C(F)(F)F)cc2=O
InChIInChI=1S/C12H16F3N3O/c1-17-5-6-18-10(19)7-9(12(13,14)15)8(11(17)18)3-2-4-16/h7H,2-6,16H2,1H3
InChIKeyHCYFZCIODBBRKG-UHFFFAOYSA-N
XLogP1.21
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-acetyl-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251928
8-propanoyl-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 44251929
8-(1-Aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82623915
8-(3-aminopropyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 82623916
8-(2-Aminoethyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 82623917
8-(aminomethyl)-7-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 98771746
(4R)-4-amino-3-methyl-1-[[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]imidazolidin-2-one
CID 148531635
7-methyl-8-prop-2-enyl-2,3-dihydro-1H-imidazo[1,2-a]pyridin-5-one
CID 10559582
8-(3-Aminopropyl)-7-ethyl-1-methyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96595271
8-(2-Aminoethyl)-1-methyl-7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96595272
8-(3-Aminopropyl)-1,7-dimethyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96606998
8-(Aminomethyl)-1-methyl-7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 96607002

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The IUPAC name of 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one (CID 82626218) is 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is CN1CCn2c1c(CCCN)c(C(F)(F)F)cc2=O.
What is the InChIKey of 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
The InChIKey is HCYFZCIODBBRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-17-5-6-18-10(19)7-9(12(13,14)15)8(11(17)18)3-2-4-16/h7H,2-6,16H2,1H3.
What are the key properties of 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one?
8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one has a molecular weight of 275.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminopropyl)-1-methyl-7-(trifluoromethyl)-2,3-dihydroimidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 82626218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).