2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C19H19N7O3 — CID 3000031

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1
InChIInChI=1S/C19H19N7O3/c1-12-9-14(26(22-12)13-7-5-4-6-8-13)21-15(27)10-25-11-20-17-16(25)18(28)24(3)19(29)23(17)2/h4-9,11H,10H2,1-3H3,(H,21,27)
InChIKeyFOWIXTXGHZOBNQ-UHFFFAOYSA-N
MW393.41 g/mol
LogP0.57
Rot. Bonds4

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 3000031) has the molecular formula C19H19N7O3 and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID3000031
Molecular FormulaC19H19N7O3
Molecular Weight393.41 g/mol
Exact Mass393.15
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1
InChIInChI=1S/C19H19N7O3/c1-12-9-14(26(22-12)13-7-5-4-6-8-13)21-15(27)10-25-11-20-17-16(25)18(28)24(3)19(29)23(17)2/h4-9,11H,10H2,1-3H3,(H,21,27)
InChIKeyFOWIXTXGHZOBNQ-UHFFFAOYSA-N
XLogP0.57
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 3000031) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is FOWIXTXGHZOBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O3/c1-12-9-14(26(22-12)13-7-5-4-6-8-13)21-15(27)10-25-11-20-17-16(25)18(28)24(3)19(29)23(17)2/h4-9,11H,10H2,1-3H3,(H,21,27).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 393.41 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 3000031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).