[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

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Related Compounds

1-methyl-3-[4-[4-morpholin-4-yl-1-[1-(pyrazine-2-carbonyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68866595
[4-[6-(6-amino-3-pyridinyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 69269663
4-[1-[1-[(6-fluoro-3-pyridinyl)methyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 141218948
1-cyclopropyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 141114356
4-(aziridin-1-yl)-1-[(2S)-oxan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 3246173
[4-[1-(1-benzoylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea
CID 68865060
[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91915294
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[4-[4-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 46202140
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
methyl 4-[6-[4-[(3-fluoro-4-pyridinyl)carbamoylamino]phenyl]-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 69274091
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163355013

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).