3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

C17H18FN5 — CID 46965629

IUPAC3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESFc1ccc(CN2CCCC(c3[nH]nc4nccnc34)C2)cc1
InChIInChI=1S/C17H18FN5/c18-14-5-3-12(4-6-14)10-23-9-1-2-13(11-23)15-16-17(22-21-15)20-8-7-19-16/h3-8,13H,1-2,9-11H2,(H,20,21,22)
InChIKeyNEAHDKXLJRICHA-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.87
Rot. Bonds3

About 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine

3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 46965629) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
PubChem CID46965629
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC Name3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
SMILESFc1ccc(CN2CCCC(c3[nH]nc4nccnc34)C2)cc1
InChIInChI=1S/C17H18FN5/c18-14-5-3-12(4-6-14)10-23-9-1-2-13(11-23)15-16-17(22-21-15)20-8-7-19-16/h3-8,13H,1-2,9-11H2,(H,20,21,22)
InChIKeyNEAHDKXLJRICHA-UHFFFAOYSA-N
XLogP2.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine 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

3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853465
3-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853476
3-[1-(3-phenylpropyl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110234027
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95823928
2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 110234073
2-(4-fluorophenyl)-3-[(3S)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95818618
(4R)-1-(4-fluorophenyl)-4-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 51588949
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51590018
3-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 110259066
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
CID 95810845
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine (CID 46965629) is 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is Fc1ccc(CN2CCCC(c3[nH]nc4nccnc34)C2)cc1.
What is the InChIKey of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is NEAHDKXLJRICHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c18-14-5-3-12(4-6-14)10-23-9-1-2-13(11-23)15-16-17(22-21-15)20-8-7-19-16/h3-8,13H,1-2,9-11H2,(H,20,21,22).
What are the key properties of 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine?
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 311.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 46965629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).