1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane

C22H22F4N2 — CID 162187456

IUPAC1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(C)=CC(c2ccccc2)=C(c2c(F)cncc2F)N1CC(F)F.CC
InChIInChI=1S/C20H16F4N2.C2H6/c1-12-8-15(14-6-4-3-5-7-14)20(26(13(12)2)11-18(23)24)19-16(21)9-25-10-17(19)22;1-2/h3-10,18H,2,11H2,1H3;1-2H3
InChIKeyZPVQZVHGNFTXTQ-UHFFFAOYSA-N
MW390.42 g/mol
LogP6.30
Rot. Bonds4

About 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane

1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane (PubChem CID 162187456) has the molecular formula C22H22F4N2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
PubChem CID162187456
Molecular FormulaC22H22F4N2
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Name1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(C)=CC(c2ccccc2)=C(c2c(F)cncc2F)N1CC(F)F.CC
InChIInChI=1S/C20H16F4N2.C2H6/c1-12-8-15(14-6-4-3-5-7-14)20(26(13(12)2)11-18(23)24)19-16(21)9-25-10-17(19)22;1-2/h3-10,18H,2,11H2,1H3;1-2H3
InChIKeyZPVQZVHGNFTXTQ-UHFFFAOYSA-N
XLogP6.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.42
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 158492269
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 157458491
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515
2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane
CID 159359800
2-(3,5-difluoro-4-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 158332776
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane (CID 162187456) is 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane is C=C1C(C)=CC(c2ccccc2)=C(c2c(F)cncc2F)N1CC(F)F.CC.
What is the InChIKey of 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is ZPVQZVHGNFTXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2.C2H6/c1-12-8-15(14-6-4-3-5-7-14)20(26(13(12)2)11-18(23)24)19-16(21)9-25-10-17(19)22;1-2/h3-10,18H,2,11H2,1H3;1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane?
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 390.42 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 162187456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).