[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol

C23H26FNOS — CID 150702007

IUPAC[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)C)c(Cc2cccs2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C23H26FNOS/c1-14(2)22-19(12-18-6-5-11-27-18)21(16-7-9-17(24)10-8-16)20(13-26)23(25-22)15(3)4/h5-11,14-15,26H,12-13H2,1-4H3
InChIKeyJMBVMTLWNOKDAU-UHFFFAOYSA-N
MW383.53 g/mol
LogP6.28
Rot. Bonds6

About [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol

[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol (PubChem CID 150702007) has the molecular formula C23H26FNOS and a molecular weight of 383.53 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol
PubChem CID150702007
Molecular FormulaC23H26FNOS
Molecular Weight383.53 g/mol
Exact Mass383.17
IUPAC Name[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol
SMILESCC(C)c1nc(C(C)C)c(Cc2cccs2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C23H26FNOS/c1-14(2)22-19(12-18-6-5-11-27-18)21(16-7-9-17(24)10-8-16)20(13-26)23(25-22)15(3)4/h5-11,14-15,26H,12-13H2,1-4H3
InChIKeyJMBVMTLWNOKDAU-UHFFFAOYSA-N
XLogP6.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.53
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol (CID 150702007) is [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol is CC(C)c1nc(C(C)C)c(Cc2cccs2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol?
The InChIKey is JMBVMTLWNOKDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNOS/c1-14(2)22-19(12-18-6-5-11-27-18)21(16-7-9-17(24)10-8-16)20(13-26)23(25-22)15(3)4/h5-11,14-15,26H,12-13H2,1-4H3.
What are the key properties of [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol?
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol has a molecular weight of 383.53 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(thiophen-2-ylmethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 150702007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).