[3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C21H15ClF4N4O — CID 46864670

IUPAC[3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESC=Cc1cc(C(F)(F)F)c2nc(C(=O)N3CC=C(c4ncccc4F)CC3)c(Cl)n2c1
InChIInChI=1S/C21H15ClF4N4O/c1-2-12-10-14(21(24,25)26)19-28-17(18(22)30(19)11-12)20(31)29-8-5-13(6-9-29)16-15(23)4-3-7-27-16/h2-5,7,10-11H,1,6,8-9H2
InChIKeyNQZDOXIDWMVGOI-UHFFFAOYSA-N
MW450.82 g/mol
LogP5.11
Rot. Bonds3

About [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864670) has the molecular formula C21H15ClF4N4O and a molecular weight of 450.82 g/mol. Its IUPAC name is [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864670
Molecular FormulaC21H15ClF4N4O
Molecular Weight450.82 g/mol
Exact Mass450.09
IUPAC Name[3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESC=Cc1cc(C(F)(F)F)c2nc(C(=O)N3CC=C(c4ncccc4F)CC3)c(Cl)n2c1
InChIInChI=1S/C21H15ClF4N4O/c1-2-12-10-14(21(24,25)26)19-28-17(18(22)30(19)11-12)20(31)29-8-5-13(6-9-29)16-15(23)4-3-7-27-16/h2-5,7,10-11H,1,6,8-9H2
InChIKeyNQZDOXIDWMVGOI-UHFFFAOYSA-N
XLogP5.11
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.82
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864670) is [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is C=Cc1cc(C(F)(F)F)c2nc(C(=O)N3CC=C(c4ncccc4F)CC3)c(Cl)n2c1.
What is the InChIKey of [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is NQZDOXIDWMVGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O/c1-2-12-10-14(21(24,25)26)19-28-17(18(22)30(19)11-12)20(31)29-8-5-13(6-9-29)16-15(23)4-3-7-27-16/h2-5,7,10-11H,1,6,8-9H2.
What are the key properties of [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 450.82 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-ethenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).