6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one

C17H24N4O2 — CID 46395089

IUPAC6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one
SMILESCCn1nc(C)c2ccn(CC(=O)N3CCCCCC3)c(=O)c21
InChIInChI=1S/C17H24N4O2/c1-3-21-16-14(13(2)18-21)8-11-20(17(16)23)12-15(22)19-9-6-4-5-7-10-19/h8,11H,3-7,9-10,12H2,1-2H3
InChIKeyZWPABGATFQCZDE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.93
Rot. Bonds3

About 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one

6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one (PubChem CID 46395089) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one
PubChem CID46395089
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one
SMILESCCn1nc(C)c2ccn(CC(=O)N3CCCCCC3)c(=O)c21
InChIInChI=1S/C17H24N4O2/c1-3-21-16-14(13(2)18-21)8-11-20(17(16)23)12-15(22)19-9-6-4-5-7-10-19/h8,11H,3-7,9-10,12H2,1-2H3
InChIKeyZWPABGATFQCZDE-UHFFFAOYSA-N
XLogP1.93
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395087
2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propan-2-ylacetamide
CID 46395094
N-cyclopropyl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395097
N-cyclohexyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395180
1-[(1-ethyl-3-methyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenylpropyl)-1,4-diazepane
CID 70752038
N-cycloheptyl-2-(1-ethyl-3-methyl-7-oxo-1,7-dihydro-6H-pyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 46395086
N-(sec-butyl)-2-(1,3-dimethyl-7-oxo-1,7-dihydro-6H-pyrazolo[3,4-c]pyridin-6-yl)acetamide
CID 46395141
N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395143
N-cyclopentyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395144
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-propylacetamide
CID 46395154
N-Butyl-N-ethyl-2-{1-oxo-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-2-YL}acetamide
CID 91890110
N-butan-2-yl-2-(1-ethyl-3-methyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
CID 46395084

Frequently Asked Questions

What is the IUPAC name of 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one (CID 46395089) is 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one is CCn1nc(C)c2ccn(CC(=O)N3CCCCCC3)c(=O)c21.
What is the InChIKey of 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one?
The InChIKey is ZWPABGATFQCZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-21-16-14(13(2)18-21)8-11-20(17(16)23)12-15(22)19-9-6-4-5-7-10-19/h8,11H,3-7,9-10,12H2,1-2H3.
What are the key properties of 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one?
6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one has a molecular weight of 316.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(azepan-1-yl)-2-oxoethyl]-1-ethyl-3-methylpyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 46395089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).