[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane

C25H24ClF2NOS — CID 143495031

IUPAC[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
SMILESCC.CC1(F)C=C(F)C=C(c2scc(-c3cccc(Cl)c3)c2C(O)c2cccnc2)C1
InChIInChI=1S/C23H18ClF2NOS.C2H6/c1-23(26)10-16(9-18(25)11-23)22-20(21(28)15-5-3-7-27-12-15)19(13-29-22)14-4-2-6-17(24)8-14;1-2/h2-9,11-13,21,28H,10H2,1H3;1-2H3
InChIKeyNFJVGDXOYLXGFV-UHFFFAOYSA-N
MW459.99 g/mol
LogP7.94
Rot. Bonds4

About [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane

[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane (PubChem CID 143495031) has the molecular formula C25H24ClF2NOS and a molecular weight of 459.99 g/mol. Its IUPAC name is [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane.

Molecular Properties

Compound Name[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
PubChem CID143495031
Molecular FormulaC25H24ClF2NOS
Molecular Weight459.99 g/mol
Exact Mass459.12
IUPAC Name[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane
SMILESCC.CC1(F)C=C(F)C=C(c2scc(-c3cccc(Cl)c3)c2C(O)c2cccnc2)C1
InChIInChI=1S/C23H18ClF2NOS.C2H6/c1-23(26)10-16(9-18(25)11-23)22-20(21(28)15-5-3-7-27-12-15)19(13-29-22)14-4-2-6-17(24)8-14;1-2/h2-9,11-13,21,28H,10H2,1H3;1-2H3
InChIKeyNFJVGDXOYLXGFV-UHFFFAOYSA-N
XLogP7.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.99
LogP ≤ 57.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane 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 [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane?
The IUPAC name of [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane (CID 143495031) is [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane.
What is the SMILES notation for [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane?
The canonical SMILES for [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane is CC.CC1(F)C=C(F)C=C(c2scc(-c3cccc(Cl)c3)c2C(O)c2cccnc2)C1.
What is the InChIKey of [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane?
The InChIKey is NFJVGDXOYLXGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2NOS.C2H6/c1-23(26)10-16(9-18(25)11-23)22-20(21(28)15-5-3-7-27-12-15)19(13-29-22)14-4-2-6-17(24)8-14;1-2/h2-9,11-13,21,28H,10H2,1H3;1-2H3.
What are the key properties of [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane?
[4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane has a molecular weight of 459.99 g/mol, XLogP of 7.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)-2-(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)thiophen-3-yl]-pyridin-3-ylmethanol;ethane is sourced from PubChem (CID 143495031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).