[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

C17H24N6O2 — CID 94521513

IUPAC[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6O2/c1-12-19-15-14(10-18-21(15)2)16(20-12)23-5-3-4-13(11-23)17(24)22-6-8-25-9-7-22/h10,13H,3-9,11H2,1-2H3/t13-/m0/s1
InChIKeyCCBQILQDCISLPU-ZDUSSCGKSA-N
MW344.42 g/mol
LogP0.75
Rot. Bonds2

About [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone

[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 94521513) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID94521513
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c2cnn(C)c2n1
InChIInChI=1S/C17H24N6O2/c1-12-19-15-14(10-18-21(15)2)16(20-12)23-5-3-4-13(11-23)17(24)22-6-8-25-9-7-22/h10,13H,3-9,11H2,1-2H3/t13-/m0/s1
InChIKeyCCBQILQDCISLPU-ZDUSSCGKSA-N
XLogP0.75
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 94521513) is [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is Cc1nc(N2CCC[C@H](C(=O)N3CCOCC3)C2)c2cnn(C)c2n1.
What is the InChIKey of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CCBQILQDCISLPU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-12-19-15-14(10-18-21(15)2)16(20-12)23-5-3-4-13(11-23)17(24)22-6-8-25-9-7-22/h10,13H,3-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 344.42 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 94521513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).