1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone

C15H20N4O2 — CID 58629470

IUPAC1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
SMILESCCn1ncc2c(NC3CCCOC3)c(C(C)=O)cnc21
InChIInChI=1S/C15H20N4O2/c1-3-19-15-13(8-17-19)14(12(7-16-15)10(2)20)18-11-5-4-6-21-9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyJMOHHZIWNDRDCW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.24
Rot. Bonds4

About 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone

1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone (PubChem CID 58629470) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
PubChem CID58629470
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone
SMILESCCn1ncc2c(NC3CCCOC3)c(C(C)=O)cnc21
InChIInChI=1S/C15H20N4O2/c1-3-19-15-13(8-17-19)14(12(7-16-15)10(2)20)18-11-5-4-6-21-9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,18)
InChIKeyJMOHHZIWNDRDCW-UHFFFAOYSA-N
XLogP2.24
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone (CID 58629470) is 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone is CCn1ncc2c(NC3CCCOC3)c(C(C)=O)cnc21.
What is the InChIKey of 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
The InChIKey is JMOHHZIWNDRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-19-15-13(8-17-19)14(12(7-16-15)10(2)20)18-11-5-4-6-21-9-11/h7-8,11H,3-6,9H2,1-2H3,(H,16,18).
What are the key properties of 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone?
1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-4-(oxan-3-ylamino)pyrazolo[3,4-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 58629470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).