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

C15H22N4O — CID 135853015

IUPAC1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(CN3CCCCC3)c[nH]c21
InChIInChI=1S/C15H22N4O/c1-3-19-15-13(11(2)17-19)14(20)12(9-16-15)10-18-7-5-4-6-8-18/h9H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyGHJKUZJVEWFWEH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.04
Rot. Bonds3

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

1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135853015) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135853015
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(CN3CCCCC3)c[nH]c21
InChIInChI=1S/C15H22N4O/c1-3-19-15-13(11(2)17-19)14(20)12(9-16-15)10-18-7-5-4-6-8-18/h9H,3-8,10H2,1-2H3,(H,16,20)
InChIKeyGHJKUZJVEWFWEH-UHFFFAOYSA-N
XLogP2.04
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562536
7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562537
N-cyclohexyl-1,3-dimethyl-4-oxo-7-propylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562538
N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562539
N-cyclohexyl-7-hexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562648
N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562652
1,3-dimethyl-N-(5-methylhexan-2-yl)-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562784
N-cyclohexyl-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562901
1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135772535
1,3-dimethyl-6-[4-(3-methylbutyl)piperazine-1-carbonyl]-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136345682
5-amino-1-methyl-3-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136303222
1-[5-Amino-1,3-bis(prop-2-enyl)pyrazol-4-yl]hexan-1-one
CID 70541891

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135853015) is 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1nc(C)c2c(=O)c(CN3CCCCC3)c[nH]c21.
What is the InChIKey of 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is GHJKUZJVEWFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-19-15-13(11(2)17-19)14(20)12(9-16-15)10-18-7-5-4-6-8-18/h9H,3-8,10H2,1-2H3,(H,16,20).
What are the key properties of 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 274.37 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-(piperidin-1-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135853015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).