[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C19H22N8O2 — CID 141218895

IUPAC[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(n2ncc3c(N4CCOCC4)ncnc32)CC1
InChIInChI=1S/C19H22N8O2/c28-19(16-12-20-3-4-21-16)26-5-1-14(2-6-26)27-18-15(11-24-27)17(22-13-23-18)25-7-9-29-10-8-25/h3-4,11-14H,1-2,5-10H2
InChIKeyZIXTZECRFNEIAQ-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.93
Rot. Bonds3

About [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 141218895) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID141218895
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC(n2ncc3c(N4CCOCC4)ncnc32)CC1
InChIInChI=1S/C19H22N8O2/c28-19(16-12-20-3-4-21-16)26-5-1-14(2-6-26)27-18-15(11-24-27)17(22-13-23-18)25-7-9-29-10-8-25/h3-4,11-14H,1-2,5-10H2
InChIKeyZIXTZECRFNEIAQ-UHFFFAOYSA-N
XLogP0.93
TPSA102.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 141218895) is [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC(n2ncc3c(N4CCOCC4)ncnc32)CC1.
What is the InChIKey of [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ZIXTZECRFNEIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c28-19(16-12-20-3-4-21-16)26-5-1-14(2-6-26)27-18-15(11-24-27)17(22-13-23-18)25-7-9-29-10-8-25/h3-4,11-14H,1-2,5-10H2.
What are the key properties of [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 394.44 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 141218895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).