N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24N6O4 — CID 135920685

About N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 135920685) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 135920685
• Molecular Formula: C22H24N6O4
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.19
• IUPAC Name: N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn2c(C)cc(C)nc12
• InChI: InChI=1S/C22H24N6O4/c1-6-27(22(30)15-10-23-28-13(3)7-12(2)24-20(15)28)11-19-25-16-9-18(32-5)17(31-4)8-14(16)21(29)26-19/h7-10H,6,11H2,1-5H3,(H,25,26,29)
• InChIKey: BGSFVJATYLXIGN-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 114.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 135920685) is N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)C(=O)c1cnn2c(C)cc(C)nc12.

What is the InChIKey of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is BGSFVJATYLXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-6-27(22(30)15-10-23-28-13(3)7-12(2)24-20(15)28)11-19-25-16-9-18(32-5)17(31-4)8-14(16)21(29)26-19/h7-10H,6,11H2,1-5H3,(H,25,26,29).

What are the key properties of N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135920685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).