1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

C24H25ClF3N5O3S — CID 167543882

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C24H25ClF3N5O3S/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3
InChIKeyBWPRLRDMGBEKCD-UHFFFAOYSA-N
MW556.01 g/mol
LogP5.06
Rot. Bonds8

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (PubChem CID 167543882) has the molecular formula C24H25ClF3N5O3S and a molecular weight of 556.01 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
PubChem CID167543882
Molecular FormulaC24H25ClF3N5O3S
Molecular Weight556.01 g/mol
Exact Mass555.13
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C24H25ClF3N5O3S/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3
InChIKeyBWPRLRDMGBEKCD-UHFFFAOYSA-N
XLogP5.06
TPSA87.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.01
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one with MolForge

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Related Compounds

(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
Aminoimidazo[1,2-a]pyridine deriv. 15
CID 5330615
Aminoimidazo[1,2-a]pyridine deriv. 31
CID 5330624
Aminoimidazo[1,2-a]pyridine deriv. 7
CID 5330629
(4-Chlorophenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 1484079
6-chloro-2-ethyl-N-[[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009991
Aminoimidazo[1,2-a]pyridine deriv. 40
CID 5330637
4-(6-chloroimidazo[1,2-b]pyridazine-3-carbonyl)-N-cyclohexyl-N-ethylbenzamide
CID 46847215
Methanesulfonamide, N-(4-((1-(2-imidazo(1,2-a)pyridin-3-yl-2-oxoethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride
CID 3087193
6-chloro-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135192855
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-7-(methylamino)imidazo[1,2-a]pyridine-3-carboxamide
CID 156160055
6-chloro-2-ethyl-N-[[3-methyl-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 156160061

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (CID 167543882) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one.
What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is CCC1=NN(c2ccc(CCC(=O)c3c(CC)nc4ccc(Cl)cn34)cc2)CCN1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The InChIKey is BWPRLRDMGBEKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N5O3S/c1-3-19-23(31-15-17(25)8-12-22(31)29-19)20(34)11-7-16-5-9-18(10-6-16)32-13-14-33(21(4-2)30-32)37(35,36)24(26,27)28/h5-6,8-10,12,15H,3-4,7,11,13-14H2,1-2H3.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one has a molecular weight of 556.01 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[3-ethyl-4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167543882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).