1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone

C18H16Cl2F2N2O3 — CID 22145680

IUPAC1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESO=C(Cc1c(Cl)cncc1Cl)c1cc(OC2CCCC2)c(OC(F)F)cn1
InChIInChI=1S/C18H16Cl2F2N2O3/c19-12-7-23-8-13(20)11(12)5-15(25)14-6-16(26-10-3-1-2-4-10)17(9-24-14)27-18(21)22/h6-10,18H,1-5H2
InChIKeyWUAXKYJFOPYJMA-UHFFFAOYSA-N
MW417.24 g/mol
LogP5.13
Rot. Bonds7

About 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone

1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone (PubChem CID 22145680) has the molecular formula C18H16Cl2F2N2O3 and a molecular weight of 417.24 g/mol. Its IUPAC name is 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone
PubChem CID22145680
Molecular FormulaC18H16Cl2F2N2O3
Molecular Weight417.24 g/mol
Exact Mass416.05
IUPAC Name1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone
SMILESO=C(Cc1c(Cl)cncc1Cl)c1cc(OC2CCCC2)c(OC(F)F)cn1
InChIInChI=1S/C18H16Cl2F2N2O3/c19-12-7-23-8-13(20)11(12)5-15(25)14-6-16(26-10-3-1-2-4-10)17(9-24-14)27-18(21)22/h6-10,18H,1-5H2
InChIKeyWUAXKYJFOPYJMA-UHFFFAOYSA-N
XLogP5.13
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.24
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-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 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The IUPAC name of 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone (CID 22145680) is 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone is O=C(Cc1c(Cl)cncc1Cl)c1cc(OC2CCCC2)c(OC(F)F)cn1.
What is the InChIKey of 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
The InChIKey is WUAXKYJFOPYJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F2N2O3/c19-12-7-23-8-13(20)11(12)5-15(25)14-6-16(26-10-3-1-2-4-10)17(9-24-14)27-18(21)22/h6-10,18H,1-5H2.
What are the key properties of 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone?
1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone has a molecular weight of 417.24 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopentyloxy-5-(difluoromethoxy)-2-pyridinyl]-2-(3,5-dichloro-4-pyridinyl)ethanone is sourced from PubChem (CID 22145680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).