2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile

C22H26FN5O — CID 146047553

IUPAC2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile
SMILESCOc1cc(C2CCNCC2)ccc1C1CC(Nc2ccc(C#N)c(F)c2)NN1
InChIInChI=1S/C22H26FN5O/c1-29-21-10-15(14-6-8-25-9-7-14)3-5-18(21)20-12-22(28-27-20)26-17-4-2-16(13-24)19(23)11-17/h2-5,10-11,14,20,22,25-28H,6-9,12H2,1H3
InChIKeyPITBYMHGJIJVIR-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.15
Rot. Bonds5

About 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile

2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile (PubChem CID 146047553) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile
PubChem CID146047553
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile
SMILESCOc1cc(C2CCNCC2)ccc1C1CC(Nc2ccc(C#N)c(F)c2)NN1
InChIInChI=1S/C22H26FN5O/c1-29-21-10-15(14-6-8-25-9-7-14)3-5-18(21)20-12-22(28-27-20)26-17-4-2-16(13-24)19(23)11-17/h2-5,10-11,14,20,22,25-28H,6-9,12H2,1H3
InChIKeyPITBYMHGJIJVIR-UHFFFAOYSA-N
XLogP3.15
TPSA81.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile 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

2-fluoro-5-piperidin-4-ylbenzonitrile
CID 16679511
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
5-[[5-[4-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 156907681
5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 146047594
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
4-piperidin-4-yl-2-propan-2-ylbenzonitrile
CID 91599912
6-(azepan-4-yl)-2-(4-cyano-3-fluorophenyl)-3-(3-fluoro-4-methoxyphenyl)pyridine-4-carbonitrile
CID 170120638
2-fluoro-4-(4-fluorocyclohexyl)benzonitrile
CID 18344277
5-[[5-[2-methoxy-4-[(3R)-1-methylpyrrolidin-3-yl]oxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 146047582
5-[[5-[2-methoxy-4-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methoxy]phenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 146047629
4-(4-bromo-3-methoxyanilino)-2-fluorobenzonitrile
CID 82867493
2-methoxy-4-[(2S)-piperazin-2-yl]benzonitrile
CID 71272457

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile?
The IUPAC name of 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile (CID 146047553) is 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile is COc1cc(C2CCNCC2)ccc1C1CC(Nc2ccc(C#N)c(F)c2)NN1.
What is the InChIKey of 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile?
The InChIKey is PITBYMHGJIJVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-29-21-10-15(14-6-8-25-9-7-14)3-5-18(21)20-12-22(28-27-20)26-17-4-2-16(13-24)19(23)11-17/h2-5,10-11,14,20,22,25-28H,6-9,12H2,1H3.
What are the key properties of 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile?
2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile has a molecular weight of 395.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile is sourced from PubChem (CID 146047553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).