[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol

C21H17FN2OS — CID 58463384

IUPAC[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
SMILESCn1cc(-c2cccs2)c(C(O)c2cccnc2)c1-c1ccc(F)cc1
InChIInChI=1S/C21H17FN2OS/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/h2-13,21,25H,1H3
InChIKeyBYQISJBGSRNGOI-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.04
Rot. Bonds4

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

[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463384) has the molecular formula C21H17FN2OS and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
PubChem CID58463384
Molecular FormulaC21H17FN2OS
Molecular Weight364.45 g/mol
Exact Mass364.10
IUPAC Name[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
SMILESCn1cc(-c2cccs2)c(C(O)c2cccnc2)c1-c1ccc(F)cc1
InChIInChI=1S/C21H17FN2OS/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/h2-13,21,25H,1H3
InChIKeyBYQISJBGSRNGOI-UHFFFAOYSA-N
XLogP5.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4-(2-fluorophenyl)-5-((S)-hydroxy(5-(pyridin-3-yl)thiophen-2-yl)methyl)-1-methylpyrrolidin-2-one
CID 10134502
(4R,5R)-5-((S)-hydroxy(5-(pyridin-2-yl)thiophen-2-yl)methyl)-1-methyl-4-phenylpyrrolidin-2-one
CID 10270157
Pyridin-3-yl(thiophen-2-yl)methanol
CID 650499
N-[(2-fluoro-4-pyridinyl)methyl]-N-[3-(1-hydroxyethyl)-1-benzothiophen-2-yl]ethanesulfonamide
CID 66907258
1-[5-(4-Fluorophenyl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
CID 118911858
Isoquinolin-1-yl(thiophen-2-yl)methanol
CID 2999753
(4-Fluorophenyl)-(4-pyridin-4-yl-1,3-thiazol-2-yl)methanol
CID 46942575
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-thiophen-2-ylbutan-1-ol
CID 12629950
[2-(1-Benzothiophen-2-yl)-3-pyridinyl]methanol
CID 46228243
[4-(3-Fluorophenyl)-1,3-thiazol-2-yl]-pyridin-3-ylmethanol
CID 49789229
2-[Benzyl(pyridin-4-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855561
2-[Benzyl(pyridin-2-ylmethyl)amino]-1-thiophen-2-ylethanol
CID 71855576

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol (CID 58463384) is [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol is Cn1cc(-c2cccs2)c(C(O)c2cccnc2)c1-c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol?
The InChIKey is BYQISJBGSRNGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2OS/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/h2-13,21,25H,1H3.
What are the key properties of [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol?
[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol has a molecular weight of 364.45 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).