[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C17H20N6O2 — CID 110118618

IUPAC[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCCC(c2ccc3c(N)nn(C)c3n2)C1
InChIInChI=1S/C17H20N6O2/c1-10-14(25-9-19-10)17(24)23-7-3-4-11(8-23)13-6-5-12-15(18)21-22(2)16(12)20-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyNCBIQJYDXAIXFE-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.87
Rot. Bonds2

About [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 110118618) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID110118618
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CCCC(c2ccc3c(N)nn(C)c3n2)C1
InChIInChI=1S/C17H20N6O2/c1-10-14(25-9-19-10)17(24)23-7-3-4-11(8-23)13-6-5-12-15(18)21-22(2)16(12)20-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,18,21)
InChIKeyNCBIQJYDXAIXFE-UHFFFAOYSA-N
XLogP1.87
TPSA103.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 110118618) is [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CCCC(c2ccc3c(N)nn(C)c3n2)C1.
What is the InChIKey of [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is NCBIQJYDXAIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-14(25-9-19-10)17(24)23-7-3-4-11(8-23)13-6-5-12-15(18)21-22(2)16(12)20-13/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,18,21).
What are the key properties of [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 340.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110118618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).