(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

C15H20N4O2 — CID 115875033

IUPAC(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCCC(C)(O)C3)cc12
InChIInChI=1S/C15H20N4O2/c1-10-12-7-11(8-16-13(12)18(3)17-10)14(20)19-6-4-5-15(2,21)9-19/h7-8,21H,4-6,9H2,1-3H3
InChIKeyIBRRZQNOKHLXHV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.26
Rot. Bonds1

About (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (PubChem CID 115875033) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
PubChem CID115875033
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
SMILESCc1nn(C)c2ncc(C(=O)N3CCCC(C)(O)C3)cc12
InChIInChI=1S/C15H20N4O2/c1-10-12-7-11(8-16-13(12)18(3)17-10)14(20)19-6-4-5-15(2,21)9-19/h7-8,21H,4-6,9H2,1-3H3
InChIKeyIBRRZQNOKHLXHV-UHFFFAOYSA-N
XLogP1.26
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The IUPAC name of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone (CID 115875033) is (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is Cc1nn(C)c2ncc(C(=O)N3CCCC(C)(O)C3)cc12.
What is the InChIKey of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
The InChIKey is IBRRZQNOKHLXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-12-7-11(8-16-13(12)18(3)17-10)14(20)19-6-4-5-15(2,21)9-19/h7-8,21H,4-6,9H2,1-3H3.
What are the key properties of (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone?
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115875033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).