[6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone

C20H19ClF2N2O2 — CID 174840143

IUPAC[6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1)N1CCC(F)(F)C1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-5-3-14(4-6-15)18-17(27-11-13-1-2-13)8-7-16(24-18)19(26)25-10-9-20(22,23)12-25/h3-8,13H,1-2,9-12H2
InChIKeyILZNDZPLHGNVDQ-UHFFFAOYSA-N
MW392.83 g/mol
LogP4.67
Rot. Bonds5

About [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone

[6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 174840143) has the molecular formula C20H19ClF2N2O2 and a molecular weight of 392.83 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID174840143
Molecular FormulaC20H19ClF2N2O2
Molecular Weight392.83 g/mol
Exact Mass392.11
IUPAC Name[6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1)N1CCC(F)(F)C1
InChIInChI=1S/C20H19ClF2N2O2/c21-15-5-3-14(4-6-15)18-17(27-11-13-1-2-13)8-7-16(24-18)19(26)25-10-9-20(22,23)12-25/h3-8,13H,1-2,9-12H2
InChIKeyILZNDZPLHGNVDQ-UHFFFAOYSA-N
XLogP4.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.83
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-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 [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone (CID 174840143) is [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone is O=C(c1ccc(OCC2CC2)c(-c2ccc(Cl)cc2)n1)N1CCC(F)(F)C1.
What is the InChIKey of [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is ILZNDZPLHGNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O2/c21-15-5-3-14(4-6-15)18-17(27-11-13-1-2-13)8-7-16(24-18)19(26)25-10-9-20(22,23)12-25/h3-8,13H,1-2,9-12H2.
What are the key properties of [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone?
[6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 392.83 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-5-(cyclopropylmethoxy)-2-pyridinyl]-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 174840143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).