[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol

C18H22N6O — CID 95863204

IUPAC[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H](CO)C3)c12
InChIInChI=1S/C18H22N6O/c1-12-15-17(23(2)22-12)20-16(14-7-3-4-8-19-14)21-18(15)24-9-5-6-13(10-24)11-25/h3-4,7-8,13,25H,5-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyCYADRCQQLFHONL-ZDUSSCGKSA-N
MW338.42 g/mol
LogP1.94
Rot. Bonds3

About [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol

[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 95863204) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID95863204
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H](CO)C3)c12
InChIInChI=1S/C18H22N6O/c1-12-15-17(23(2)22-12)20-16(14-7-3-4-8-19-14)21-18(15)24-9-5-6-13(10-24)11-25/h3-4,7-8,13,25H,5-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyCYADRCQQLFHONL-ZDUSSCGKSA-N
XLogP1.94
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol (CID 95863204) is [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol is Cc1nn(C)c2nc(-c3ccccn3)nc(N3CCC[C@H](CO)C3)c12.
What is the InChIKey of [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is CYADRCQQLFHONL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O/c1-12-15-17(23(2)22-12)20-16(14-7-3-4-8-19-14)21-18(15)24-9-5-6-13(10-24)11-25/h3-4,7-8,13,25H,5-6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol?
[(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 338.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(1,3-dimethyl-6-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 95863204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).