2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol

C19H20FN3O — CID 59988419

IUPAC2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20FN3O/c1-23(10-11-24)13-18-19(15-6-8-21-9-7-15)17(12-22-18)14-2-4-16(20)5-3-14/h2-9,12,22,24H,10-11,13H2,1H3
InChIKeyFZOCYLQUVTYJJC-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.31
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol

2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol (PubChem CID 59988419) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol
PubChem CID59988419
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol
SMILESCN(CCO)Cc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H20FN3O/c1-23(10-11-24)13-18-19(15-6-8-21-9-7-15)17(12-22-18)14-2-4-16(20)5-3-14/h2-9,12,22,24H,10-11,13H2,1H3
InChIKeyFZOCYLQUVTYJJC-UHFFFAOYSA-N
XLogP3.31
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol (CID 59988419) is 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol is CN(CCO)Cc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol?
The InChIKey is FZOCYLQUVTYJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-23(10-11-24)13-18-19(15-6-8-21-9-7-15)17(12-22-18)14-2-4-16(20)5-3-14/h2-9,12,22,24H,10-11,13H2,1H3.
What are the key properties of 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol?
2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol has a molecular weight of 325.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrol-2-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 59988419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).