6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile

C17H17FN4O — CID 133421655

IUPAC6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CC(O)c2ccc(F)cc2)nn1
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)16(23)10-15-2-1-9-22(15)17-8-7-14(11-19)20-21-17/h3-8,15-16,23H,1-2,9-10H2
InChIKeyGIPOEJPQFNHUIX-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.58
Rot. Bonds4

About 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile

6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile (PubChem CID 133421655) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
PubChem CID133421655
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCC2CC(O)c2ccc(F)cc2)nn1
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)16(23)10-15-2-1-9-22(15)17-8-7-14(11-19)20-21-17/h3-8,15-16,23H,1-2,9-10H2
InChIKeyGIPOEJPQFNHUIX-UHFFFAOYSA-N
XLogP2.58
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-(2-hydroxy-2-thiophen-2-ylethyl)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418922
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]ethanol
CID 125135571
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 133472875
6-[2-(3-methylbutyl)piperidin-1-yl]pyridazine-3-carbonitrile
CID 133420369
(1R)-1-(4-fluorophenyl)-2-[(2S)-1-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-2-yl]ethanol
CID 124737079
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141845
(1S)-1-(4-fluorophenyl)-2-[(2S)-1-[(6-methoxypyridazin-3-yl)methyl]pyrrolidin-2-yl]ethanol
CID 125141846
(1S)-1-(4-fluorophenyl)-2-[(2R)-1-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 125141907
(1R)-1-(4-fluorophenyl)-2-[(2R)-1-[(1S)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]pyrrolidin-2-yl]ethanol
CID 125141904
(1R)-2-[(2S)-1-benzylpiperidin-2-yl]-1-(4-fluorophenyl)ethanol
CID 125487473
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]-1-phenylethanol
CID 133491942
1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 110009563

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile (CID 133421655) is 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile is N#Cc1ccc(N2CCCC2CC(O)c2ccc(F)cc2)nn1.
What is the InChIKey of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is GIPOEJPQFNHUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)16(23)10-15-2-1-9-22(15)17-8-7-14(11-19)20-21-17/h3-8,15-16,23H,1-2,9-10H2.
What are the key properties of 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile?
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 312.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 133421655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).