3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol

C17H20N6O — CID 56900542

IUPAC3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCn1ncc2c(N3CCCC(C)(O)C3)nc(-c3cccnc3)nc21
InChIInChI=1S/C17H20N6O/c1-17(24)6-4-8-23(11-17)16-13-10-19-22(2)15(13)20-14(21-16)12-5-3-7-18-9-12/h3,5,7,9-10,24H,4,6,8,11H2,1-2H3
InChIKeyHABIMKFAKYDWDR-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.78
Rot. Bonds2

About 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol

3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol (PubChem CID 56900542) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
PubChem CID56900542
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
SMILESCn1ncc2c(N3CCCC(C)(O)C3)nc(-c3cccnc3)nc21
InChIInChI=1S/C17H20N6O/c1-17(24)6-4-8-23(11-17)16-13-10-19-22(2)15(13)20-14(21-16)12-5-3-7-18-9-12/h3,5,7,9-10,24H,4,6,8,11H2,1-2H3
InChIKeyHABIMKFAKYDWDR-UHFFFAOYSA-N
XLogP1.78
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol (CID 56900542) is 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol is Cn1ncc2c(N3CCCC(C)(O)C3)nc(-c3cccnc3)nc21.
What is the InChIKey of 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
The InChIKey is HABIMKFAKYDWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-17(24)6-4-8-23(11-17)16-13-10-19-22(2)15(13)20-14(21-16)12-5-3-7-18-9-12/h3,5,7,9-10,24H,4,6,8,11H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol?
3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol has a molecular weight of 324.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 56900542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).