1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C16H24N4O — CID 135853016

IUPAC1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(CN3CCCCC3)c(C)[nH]c21
InChIInChI=1S/C16H24N4O/c1-4-20-16-14(12(3)18-20)15(21)13(11(2)17-16)10-19-8-6-5-7-9-19/h4-10H2,1-3H3,(H,17,21)
InChIKeyZSZSBZXLURNEJH-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.35
Rot. Bonds3

About 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135853016) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135853016
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(CN3CCCCC3)c(C)[nH]c21
InChIInChI=1S/C16H24N4O/c1-4-20-16-14(12(3)18-20)15(21)13(11(2)17-16)10-19-8-6-5-7-9-19/h4-10H2,1-3H3,(H,17,21)
InChIKeyZSZSBZXLURNEJH-UHFFFAOYSA-N
XLogP2.35
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135853016) is 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1nc(C)c2c(=O)c(CN3CCCCC3)c(C)[nH]c21.
What is the InChIKey of 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is ZSZSBZXLURNEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-20-16-14(12(3)18-20)15(21)13(11(2)17-16)10-19-8-6-5-7-9-19/h4-10H2,1-3H3,(H,17,21).
What are the key properties of 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 288.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-dimethyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135853016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).