N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

C17H24N4O2 — CID 46395143

IUPACN-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NC3CCCCCC3)ccc12
InChIInChI=1S/C17H24N4O2/c1-12-14-9-10-21(17(23)16(14)20(2)19-12)11-15(22)18-13-7-5-3-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,18,22)
InChIKeyVBXQAOWDZWWKAB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.88
Rot. Bonds3

About N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide

N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (PubChem CID 46395143) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
PubChem CID46395143
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide
SMILESCc1nn(C)c2c(=O)n(CC(=O)NC3CCCCCC3)ccc12
InChIInChI=1S/C17H24N4O2/c1-12-14-9-10-21(17(23)16(14)20(2)19-12)11-15(22)18-13-7-5-3-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,18,22)
InChIKeyVBXQAOWDZWWKAB-UHFFFAOYSA-N
XLogP1.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide (CID 46395143) is N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is Cc1nn(C)c2c(=O)n(CC(=O)NC3CCCCCC3)ccc12.
What is the InChIKey of N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
The InChIKey is VBXQAOWDZWWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-14-9-10-21(17(23)16(14)20(2)19-12)11-15(22)18-13-7-5-3-4-6-8-13/h9-10,13H,3-8,11H2,1-2H3,(H,18,22).
What are the key properties of N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide?
N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)acetamide is sourced from PubChem (CID 46395143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).