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

C19H12BrClF4N4O — CID 46864669

IUPAC[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
InChIInChI=1S/C19H12BrClF4N4O/c20-11-8-12(19(23,24)25)17-27-15(16(21)29(17)9-11)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14/h1-3,5,8-9H,4,6-7H2
InChIKeySKVYSXCOFWRYHK-UHFFFAOYSA-N
MW503.68 g/mol
LogP5.23
Rot. Bonds2

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

[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864669) has the molecular formula C19H12BrClF4N4O and a molecular weight of 503.68 g/mol. Its IUPAC name is [6-bromo-3-chloro-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[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864669
Molecular FormulaC19H12BrClF4N4O
Molecular Weight503.68 g/mol
Exact Mass501.98
IUPAC Name[6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC=C(c2ncccc2F)CC1
InChIInChI=1S/C19H12BrClF4N4O/c20-11-8-12(19(23,24)25)17-27-15(16(21)29(17)9-11)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14/h1-3,5,8-9H,4,6-7H2
InChIKeySKVYSXCOFWRYHK-UHFFFAOYSA-N
XLogP5.23
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.68
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-bromo-3-chloro-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 [6-bromo-3-chloro-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 [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864669) is [6-bromo-3-chloro-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 [6-bromo-3-chloro-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 [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC=C(c2ncccc2F)CC1.
What is the InChIKey of [6-bromo-3-chloro-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 SKVYSXCOFWRYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrClF4N4O/c20-11-8-12(19(23,24)25)17-27-15(16(21)29(17)9-11)18(30)28-6-3-10(4-7-28)14-13(22)2-1-5-26-14/h1-3,5,8-9H,4,6-7H2.
What are the key properties of [6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[6-bromo-3-chloro-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 503.68 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-3-chloro-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 46864669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).