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

C23H17ClF4N4O3 — CID 46864716

IUPAC[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1
InChIInChI=1S/C23H17ClF4N4O3/c24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13/h1-3,6,9-12,34H,4-5,7-8H2
InChIKeyLGRJQAKPCZNQJU-UHFFFAOYSA-N
MW508.86 g/mol
LogP4.92
Rot. Bonds3

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

[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone (PubChem CID 46864716) has the molecular formula C23H17ClF4N4O3 and a molecular weight of 508.86 g/mol. Its IUPAC name is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
PubChem CID46864716
Molecular FormulaC23H17ClF4N4O3
Molecular Weight508.86 g/mol
Exact Mass508.09
IUPAC Name[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1
InChIInChI=1S/C23H17ClF4N4O3/c24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13/h1-3,6,9-12,34H,4-5,7-8H2
InChIKeyLGRJQAKPCZNQJU-UHFFFAOYSA-N
XLogP4.92
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.86
LogP ≤ 54.92
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-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone (CID 46864716) is [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-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-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone is O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(O)(c2ncccc2F)CC1.
What is the InChIKey of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
The InChIKey is LGRJQAKPCZNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF4N4O3/c24-19-17(21(33)31-7-4-22(34,5-8-31)18-16(25)2-1-6-29-18)30-20-15(23(26,27)28)10-14(11-32(19)20)13-3-9-35-12-13/h1-3,6,9-12,34H,4-5,7-8H2.
What are the key properties of [3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone?
[3-chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone has a molecular weight of 508.86 g/mol, XLogP of 4.92, 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-fluoro-2-pyridinyl)-4-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 46864716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).