1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one

C17H24N4O2 — CID 20944081

IUPAC1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)n(CC(=O)N2CCC(C)CC2)c2c1c(C)nn2C
InChIInChI=1S/C17H24N4O2/c1-11-5-7-20(8-6-11)15(23)10-21-14(22)9-12(2)16-13(3)18-19(4)17(16)21/h9,11H,5-8,10H2,1-4H3
InChIKeyWCGKTQFPIFBSMY-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.61
Rot. Bonds2

About 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one

1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20944081) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one
PubChem CID20944081
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)n(CC(=O)N2CCC(C)CC2)c2c1c(C)nn2C
InChIInChI=1S/C17H24N4O2/c1-11-5-7-20(8-6-11)15(23)10-21-14(22)9-12(2)16-13(3)18-19(4)17(16)21/h9,11H,5-8,10H2,1-4H3
InChIKeyWCGKTQFPIFBSMY-UHFFFAOYSA-N
XLogP1.61
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one (CID 20944081) is 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)n(CC(=O)N2CCC(C)CC2)c2c1c(C)nn2C.
What is the InChIKey of 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is WCGKTQFPIFBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-5-7-20(8-6-11)15(23)10-21-14(22)9-12(2)16-13(3)18-19(4)17(16)21/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one?
1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 316.41 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethyl-7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20944081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).