1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

C17H26N6O — CID 70720294

IUPAC1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCc1nn(C)c2ncnc(N3CCC(O)(CN4CCCC4)CC3)c12
InChIInChI=1S/C17H26N6O/c1-13-14-15(21(2)20-13)18-12-19-16(14)23-9-5-17(24,6-10-23)11-22-7-3-4-8-22/h12,24H,3-11H2,1-2H3
InChIKeyKEOORFFNBGOGMQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.10
Rot. Bonds3

About 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol

1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (PubChem CID 70720294) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
PubChem CID70720294
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
SMILESCc1nn(C)c2ncnc(N3CCC(O)(CN4CCCC4)CC3)c12
InChIInChI=1S/C17H26N6O/c1-13-14-15(21(2)20-13)18-12-19-16(14)23-9-5-17(24,6-10-23)11-22-7-3-4-8-22/h12,24H,3-11H2,1-2H3
InChIKeyKEOORFFNBGOGMQ-UHFFFAOYSA-N
XLogP1.10
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol (CID 70720294) is 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is Cc1nn(C)c2ncnc(N3CCC(O)(CN4CCCC4)CC3)c12.
What is the InChIKey of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
The InChIKey is KEOORFFNBGOGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-13-14-15(21(2)20-13)18-12-19-16(14)23-9-5-17(24,6-10-23)11-22-7-3-4-8-22/h12,24H,3-11H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol?
1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol has a molecular weight of 330.44 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 70720294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).