2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

C20H18ClF2N3O2 — CID 165091108

IUPAC2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cn2cc(C3CCOCC3)nc2cc1Cl)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18ClF2N3O2/c21-14-9-19-25-17(12-4-6-28-7-5-12)11-26(19)10-13(14)8-18(27)15-2-1-3-16(24-15)20(22)23/h1-3,9-12,20H,4-8H2
InChIKeyWSJISYPLZPYEGA-UHFFFAOYSA-N
MW405.83 g/mol
LogP4.64
Rot. Bonds5

About 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone

2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165091108) has the molecular formula C20H18ClF2N3O2 and a molecular weight of 405.83 g/mol. Its IUPAC name is 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
PubChem CID165091108
Molecular FormulaC20H18ClF2N3O2
Molecular Weight405.83 g/mol
Exact Mass405.11
IUPAC Name2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cn2cc(C3CCOCC3)nc2cc1Cl)c1cccc(C(F)F)n1
InChIInChI=1S/C20H18ClF2N3O2/c21-14-9-19-25-17(12-4-6-28-7-5-12)11-26(19)10-13(14)8-18(27)15-2-1-3-16(24-15)20(22)23/h1-3,9-12,20H,4-8H2
InChIKeyWSJISYPLZPYEGA-UHFFFAOYSA-N
XLogP4.64
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone 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 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone (CID 165091108) is 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cn2cc(C3CCOCC3)nc2cc1Cl)c1cccc(C(F)F)n1.
What is the InChIKey of 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is WSJISYPLZPYEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF2N3O2/c21-14-9-19-25-17(12-4-6-28-7-5-12)11-26(19)10-13(14)8-18(27)15-2-1-3-16(24-15)20(22)23/h1-3,9-12,20H,4-8H2.
What are the key properties of 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone?
2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 405.83 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165091108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).