[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone

C17H20N6O2 — CID 124972241

IUPAC[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCC[C@H](c3ccc4c(N)[nH]nc4n3)C2)no1
InChIInChI=1S/C17H20N6O2/c1-2-11-8-14(22-25-11)17(24)23-7-3-4-10(9-23)13-6-5-12-15(18)20-21-16(12)19-13/h5-6,8,10H,2-4,7,9H2,1H3,(H3,18,19,20,21)/t10-/m0/s1
InChIKeyKBRHELTYJAAKCJ-JTQLQIEISA-N
MW340.39 g/mol
LogP2.11
Rot. Bonds3

About [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone

[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (PubChem CID 124972241) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
PubChem CID124972241
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CCC[C@H](c3ccc4c(N)[nH]nc4n3)C2)no1
InChIInChI=1S/C17H20N6O2/c1-2-11-8-14(22-25-11)17(24)23-7-3-4-10(9-23)13-6-5-12-15(18)20-21-16(12)19-13/h5-6,8,10H,2-4,7,9H2,1H3,(H3,18,19,20,21)/t10-/m0/s1
InChIKeyKBRHELTYJAAKCJ-JTQLQIEISA-N
XLogP2.11
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone (CID 124972241) is [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is CCc1cc(C(=O)N2CCC[C@H](c3ccc4c(N)[nH]nc4n3)C2)no1.
What is the InChIKey of [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
The InChIKey is KBRHELTYJAAKCJ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N6O2/c1-2-11-8-14(22-25-11)17(24)23-7-3-4-10(9-23)13-6-5-12-15(18)20-21-16(12)19-13/h5-6,8,10H,2-4,7,9H2,1H3,(H3,18,19,20,21)/t10-/m0/s1.
What are the key properties of [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone?
[(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone has a molecular weight of 340.39 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 124972241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).