1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol

C23H19F2NOS — CID 143494974

IUPAC1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol
SMILESCc1ccc(-c2csc(-c3ccccc3F)c2C(O)C2=CNCC=C2)c(F)c1
InChIInChI=1S/C23H19F2NOS/c1-14-8-9-16(20(25)11-14)18-13-28-23(17-6-2-3-7-19(17)24)21(18)22(27)15-5-4-10-26-12-15/h2-9,11-13,22,26-27H,10H2,1H3
InChIKeyIADPRJXQWAOYBP-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.75
Rot. Bonds4

About 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol

1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol (PubChem CID 143494974) has the molecular formula C23H19F2NOS and a molecular weight of 395.47 g/mol. Its IUPAC name is 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol
PubChem CID143494974
Molecular FormulaC23H19F2NOS
Molecular Weight395.47 g/mol
Exact Mass395.12
IUPAC Name1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol
SMILESCc1ccc(-c2csc(-c3ccccc3F)c2C(O)C2=CNCC=C2)c(F)c1
InChIInChI=1S/C23H19F2NOS/c1-14-8-9-16(20(25)11-14)18-13-28-23(17-6-2-3-7-19(17)24)21(18)22(27)15-5-4-10-26-12-15/h2-9,11-13,22,26-27H,10H2,1H3
InChIKeyIADPRJXQWAOYBP-UHFFFAOYSA-N
XLogP5.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol?
The IUPAC name of 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol (CID 143494974) is 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol.
What is the SMILES notation for 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol?
The canonical SMILES for 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol is Cc1ccc(-c2csc(-c3ccccc3F)c2C(O)C2=CNCC=C2)c(F)c1.
What is the InChIKey of 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol?
The InChIKey is IADPRJXQWAOYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NOS/c1-14-8-9-16(20(25)11-14)18-13-28-23(17-6-2-3-7-19(17)24)21(18)22(27)15-5-4-10-26-12-15/h2-9,11-13,22,26-27H,10H2,1H3.
What are the key properties of 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol?
1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol has a molecular weight of 395.47 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridin-5-yl-[4-(2-fluoro-4-methylphenyl)-2-(2-fluorophenyl)thiophen-3-yl]methanol is sourced from PubChem (CID 143494974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).