[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C16H22N6O2 — CID 17465998

IUPAC[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ncc2c(N3CCCC(C(=O)N4CCOCC4)C3)ncnc21
InChIInChI=1S/C16H22N6O2/c1-20-14-13(9-19-20)15(18-11-17-14)22-4-2-3-12(10-22)16(23)21-5-7-24-8-6-21/h9,11-12H,2-8,10H2,1H3
InChIKeyDWWOCSNBEAJBBK-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.44
Rot. Bonds2

About [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 17465998) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID17465998
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCn1ncc2c(N3CCCC(C(=O)N4CCOCC4)C3)ncnc21
InChIInChI=1S/C16H22N6O2/c1-20-14-13(9-19-20)15(18-11-17-14)22-4-2-3-12(10-22)16(23)21-5-7-24-8-6-21/h9,11-12H,2-8,10H2,1H3
InChIKeyDWWOCSNBEAJBBK-UHFFFAOYSA-N
XLogP0.44
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 17465998) is [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is Cn1ncc2c(N3CCCC(C(=O)N4CCOCC4)C3)ncnc21.
What is the InChIKey of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DWWOCSNBEAJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-20-14-13(9-19-20)15(18-11-17-14)22-4-2-3-12(10-22)16(23)21-5-7-24-8-6-21/h9,11-12H,2-8,10H2,1H3.
What are the key properties of [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 330.39 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17465998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).