[5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol

C21H19FN2OS — CID 70883230

IUPAC[5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
SMILESCN1CC(c2cccs2)C(C(O)c2cccnc2)=C1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2OS/c1-24-13-17(18-5-3-11-26-18)19(21(25)15-4-2-10-23-12-15)20(24)14-6-8-16(22)9-7-14/h2-12,17,21,25H,13H2,1H3
InChIKeyUOFNLRRXCGDDKS-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.46
Rot. Bonds4

About [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol

[5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol (PubChem CID 70883230) has the molecular formula C21H19FN2OS and a molecular weight of 366.46 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
PubChem CID70883230
Molecular FormulaC21H19FN2OS
Molecular Weight366.46 g/mol
Exact Mass366.12
IUPAC Name[5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
SMILESCN1CC(c2cccs2)C(C(O)c2cccnc2)=C1c1ccc(F)cc1
InChIInChI=1S/C21H19FN2OS/c1-24-13-17(18-5-3-11-26-18)19(21(25)15-4-2-10-23-12-15)20(24)14-6-8-16(22)9-7-14/h2-12,17,21,25H,13H2,1H3
InChIKeyUOFNLRRXCGDDKS-UHFFFAOYSA-N
XLogP4.46
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol (CID 70883230) is [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol is CN1CC(c2cccs2)C(C(O)c2cccnc2)=C1c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol?
The InChIKey is UOFNLRRXCGDDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2OS/c1-24-13-17(18-5-3-11-26-18)19(21(25)15-4-2-10-23-12-15)20(24)14-6-8-16(22)9-7-14/h2-12,17,21,25H,13H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol?
[5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol has a molecular weight of 366.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1-methyl-3-thiophen-2-yl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 70883230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).