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

C22H21ClF3N5O3S — CID 167633808

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
InChIInChI=1S/C22H21ClF3N5O3S/c1-2-18-21(30-13-16(23)6-10-20(30)28-18)19(32)9-5-15-3-7-17(8-4-15)31-12-11-29(14-27-31)35(33,34)22(24,25)26/h3-4,6-8,10,13-14H,2,5,9,11-12H2,1H3
InChIKeyOEVIBKKQKVGDPO-UHFFFAOYSA-N
MW527.96 g/mol
LogP4.28
Rot. Bonds7

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (PubChem CID 167633808) has the molecular formula C22H21ClF3N5O3S and a molecular weight of 527.96 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
PubChem CID167633808
Molecular FormulaC22H21ClF3N5O3S
Molecular Weight527.96 g/mol
Exact Mass527.10
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1
InChIInChI=1S/C22H21ClF3N5O3S/c1-2-18-21(30-13-16(23)6-10-20(30)28-18)19(32)9-5-15-3-7-17(8-4-15)31-12-11-29(14-27-31)35(33,34)22(24,25)26/h3-4,6-8,10,13-14H,2,5,9,11-12H2,1H3
InChIKeyOEVIBKKQKVGDPO-UHFFFAOYSA-N
XLogP4.28
TPSA87.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.96
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

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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
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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-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 90682864
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one (CID 167633808) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[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-[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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)cc1.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one?
The InChIKey is OEVIBKKQKVGDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5O3S/c1-2-18-21(30-13-16(23)6-10-20(30)28-18)19(32)9-5-15-3-7-17(8-4-15)31-12-11-29(14-27-31)35(33,34)22(24,25)26/h3-4,6-8,10,13-14H,2,5,9,11-12H2,1H3.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[4-[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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one has a molecular weight of 527.96 g/mol, XLogP of 4.28, 7 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-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]propan-1-one is sourced from PubChem (CID 167633808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).