5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

C18H23N7O — CID 146047594

IUPAC5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCCNCc1ccc(C2CC(Nc3cnc(C#N)cn3)NN2)c(OC)c1
InChIInChI=1S/C18H23N7O/c1-3-20-9-12-4-5-14(16(6-12)26-2)15-7-17(25-24-15)23-18-11-21-13(8-19)10-22-18/h4-6,10-11,15,17,20,24-25H,3,7,9H2,1-2H3,(H,22,23)
InChIKeyYIAMRQXMQFLAGO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.44
Rot. Bonds7

About 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 146047594) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID146047594
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCCNCc1ccc(C2CC(Nc3cnc(C#N)cn3)NN2)c(OC)c1
InChIInChI=1S/C18H23N7O/c1-3-20-9-12-4-5-14(16(6-12)26-2)15-7-17(25-24-15)23-18-11-21-13(8-19)10-22-18/h4-6,10-11,15,17,20,24-25H,3,7,9H2,1-2H3,(H,22,23)
InChIKeyYIAMRQXMQFLAGO-UHFFFAOYSA-N
XLogP1.44
TPSA106.92 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-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

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
5-[[5-[4-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 156907681
5-[[5-[2-methoxy-4-[(3-methylazetidin-3-yl)methoxy]-3-pyridinyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 167844786
5-[[5-[4-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294831
2-fluoro-4-[[5-(2-methoxy-4-piperidin-4-ylphenyl)pyrazolidin-3-yl]amino]benzonitrile
CID 146047553
5-[[5-[4-[[(1-cyclopropyl-2-oxo-1-piperidin-4-ylethyl)amino]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294766
1-[5-bromo-4-[2-[(4-fluorophenyl)methylamino]ethyl]-2-methoxyphenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596349
5-[[5-[4-[2-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 158433592
1-[5-chloro-2-methoxy-4-[2-[(4-methoxyphenyl)methylamino]ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596278
hydron;5-[[5-(2-hydroxy-6-methoxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
CID 173055366
5-[(3-ethoxyspiro[3.4]octan-1-yl)amino]pyrazine-2-carbonitrile
CID 133484797

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile (CID 146047594) is 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is CCNCc1ccc(C2CC(Nc3cnc(C#N)cn3)NN2)c(OC)c1.
What is the InChIKey of 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is YIAMRQXMQFLAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-3-20-9-12-4-5-14(16(6-12)26-2)15-7-17(25-24-15)23-18-11-21-13(8-19)10-22-18/h4-6,10-11,15,17,20,24-25H,3,7,9H2,1-2H3,(H,22,23).
What are the key properties of 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 1.44, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[4-(ethylaminomethyl)-2-methoxyphenyl]pyrazolidin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 146047594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).