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

C18H20N4O2 — CID 46395149

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-4-6-14(7-5-12)10-19-16(23)11-22-9-8-15-13(2)20-21(3)17(15)18(22)24/h4-9H,10-11H2,1-3H3,(H,19,23)
InChIKeyCXNSKJFKZDMKLH-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.67
Rot. Bonds4

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

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 46395149) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID46395149
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-12-4-6-14(7-5-12)10-19-16(23)11-22-9-8-15-13(2)20-21(3)17(15)18(22)24/h4-9H,10-11H2,1-3H3,(H,19,23)
InChIKeyCXNSKJFKZDMKLH-UHFFFAOYSA-N
XLogP1.67
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 46395149) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ccc3c(C)nn(C)c3c2=O)cc1.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is CXNSKJFKZDMKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-4-6-14(7-5-12)10-19-16(23)11-22-9-8-15-13(2)20-21(3)17(15)18(22)24/h4-9H,10-11H2,1-3H3,(H,19,23).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46395149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).