1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

C15H24N6O — CID 70710071

IUPAC1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1nn(C)c2ncnc(NCC(O)CN3CCCCC3)c12
InChIInChI=1S/C15H24N6O/c1-11-13-14(17-10-18-15(13)20(2)19-11)16-8-12(22)9-21-6-4-3-5-7-21/h10,12,22H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHEMLIRKIPUUUJX-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.93
Rot. Bonds5

About 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol

1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 70710071) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
PubChem CID70710071
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1nn(C)c2ncnc(NCC(O)CN3CCCCC3)c12
InChIInChI=1S/C15H24N6O/c1-11-13-14(17-10-18-15(13)20(2)19-11)16-8-12(22)9-21-6-4-3-5-7-21/h10,12,22H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyHEMLIRKIPUUUJX-UHFFFAOYSA-N
XLogP0.93
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol (CID 70710071) is 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is Cc1nn(C)c2ncnc(NCC(O)CN3CCCCC3)c12.
What is the InChIKey of 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is HEMLIRKIPUUUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-11-13-14(17-10-18-15(13)20(2)19-11)16-8-12(22)9-21-6-4-3-5-7-21/h10,12,22H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol?
1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 304.40 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 70710071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).