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

C18H20N4O2 — CID 46395161

IUPAC2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccc3c(C)nn(C)c3c2=O)c1
InChIInChI=1S/C18H20N4O2/c1-11-7-12(2)9-14(8-11)19-16(23)10-22-6-5-15-13(3)20-21(4)17(15)18(22)24/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyLBXLJFVJHPZFLT-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.30
Rot. Bonds3

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

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide (PubChem CID 46395161) 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-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
PubChem CID46395161
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2ccc3c(C)nn(C)c3c2=O)c1
InChIInChI=1S/C18H20N4O2/c1-11-7-12(2)9-14(8-11)19-16(23)10-22-6-5-15-13(3)20-21(4)17(15)18(22)24/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyLBXLJFVJHPZFLT-UHFFFAOYSA-N
XLogP2.30
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(3,4-dimethylphenyl)methyl]acetamide
CID 46395179
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 46395148
N-(3,5-dimethylphenyl)-2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 46396068
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 718049
2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)-N-(3,5-dimethylphenyl)acetamide
CID 53111814
N-(3,5-dimethylphenyl)-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 18591694
N-(3,5-dimethylphenyl)-2-[2,3-dioxo-4-(2,2,2-trifluoroethyl)pyrazin-1-yl]acetamide
CID 172906485
2-(7-bromo-4-oxoquinolin-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 100739906
N-(3,5-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetamide
CID 53164338
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
2-[4-(3,4-dimethoxyphenyl)-2,3-dioxopyrazin-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 22520493
ethyl 2-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149387

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide (CID 46395161) is 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cn2ccc3c(C)nn(C)c3c2=O)c1.
What is the InChIKey of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is LBXLJFVJHPZFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-7-12(2)9-14(8-11)19-16(23)10-22-6-5-15-13(3)20-21(4)17(15)18(22)24/h5-9H,10H2,1-4H3,(H,19,23).
What are the key properties of 2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide?
2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.30, 3 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-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 46395161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).