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

C23H16ClF3N4O3 — CID 46864912

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2O)CC1
InChIInChI=1S/C23H16ClF3N4O3/c24-20-19(22(33)30-7-3-13(4-8-30)18-17(32)2-1-6-28-18)29-21-16(23(25,26)27)10-15(11-31(20)21)14-5-9-34-12-14/h1-3,5-6,9-12,32H,4,7-8H2
InChIKeyLJHLVHPVZCJJMG-UHFFFAOYSA-N
MW488.85 g/mol
LogP5.30
Rot. Bonds3

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 46864912) has the molecular formula C23H16ClF3N4O3 and a molecular weight of 488.85 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID46864912
Molecular FormulaC23H16ClF3N4O3
Molecular Weight488.85 g/mol
Exact Mass488.09
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2O)CC1
InChIInChI=1S/C23H16ClF3N4O3/c24-20-19(22(33)30-7-3-13(4-8-30)18-17(32)2-1-6-28-18)29-21-16(23(25,26)27)10-15(11-31(20)21)14-5-9-34-12-14/h1-3,5-6,9-12,32H,4,7-8H2
InChIKeyLJHLVHPVZCJJMG-UHFFFAOYSA-N
XLogP5.30
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.85
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-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-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 46864912) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CC=C(c2ncccc2O)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is LJHLVHPVZCJJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O3/c24-20-19(22(33)30-7-3-13(4-8-30)18-17(32)2-1-6-28-18)29-21-16(23(25,26)27)10-15(11-31(20)21)14-5-9-34-12-14/h1-3,5-6,9-12,32H,4,7-8H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 488.85 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-hydroxy-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 46864912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).