2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone

C18H18ClN5O — CID 110234073

IUPAC2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC(c2[nH]nc3nccnc23)C1
InChIInChI=1S/C18H18ClN5O/c19-14-5-3-12(4-6-14)10-15(25)24-9-1-2-13(11-24)16-17-18(23-22-16)21-8-7-20-17/h3-8,13H,1-2,9-11H2,(H,21,22,23)
InChIKeyVCUVOQROYQLHQO-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone

2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone (PubChem CID 110234073) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
PubChem CID110234073
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCCC(c2[nH]nc3nccnc23)C1
InChIInChI=1S/C18H18ClN5O/c19-14-5-3-12(4-6-14)10-15(25)24-9-1-2-13(11-24)16-17-18(23-22-16)21-8-7-20-17/h3-8,13H,1-2,9-11H2,(H,21,22,23)
InChIKeyVCUVOQROYQLHQO-UHFFFAOYSA-N
XLogP2.95
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone 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

phenyl-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 51590018
2-(4-methoxyphenyl)sulfonyl-1-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 51596396
3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 46965629
3-[(3R)-1-benzylpiperidin-3-yl]-2H-pyrazolo[3,4-b]pyrazine
CID 95853465
(7-chloro-4-methoxyquinolin-3-yl)-[(3R)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 92611601
(4-prop-2-enoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110234085
(3-methoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110234060
(2,5-dimethoxyphenyl)-[(3S)-3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 92594479
(2,5-dimethoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110243925
2-(4-chlorophenyl)-1-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110214401
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone (CID 110234073) is 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCCC(c2[nH]nc3nccnc23)C1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is VCUVOQROYQLHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c19-14-5-3-12(4-6-14)10-15(25)24-9-1-2-13(11-24)16-17-18(23-22-16)21-8-7-20-17/h3-8,13H,1-2,9-11H2,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 355.83 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110234073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).