5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21N7O3 — CID 55872175

About 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55872175) has the molecular formula C21H21N7O3 and a molecular weight of 419.45 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55872175
• Molecular Formula: C21H21N7O3
• Molecular Weight: 419.45 g/mol
• Exact Mass: 419.17
• IUPAC Name: 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc(-c2ccccc2NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)no1
• InChI: InChI=1S/C21H21N7O3/c1-11-14(12(2)28-21(24-11)16(10-23-28)19(22)30)8-9-18(29)26-17-7-5-4-6-15(17)20-25-13(3)31-27-20/h4-7,10H,8-9H2,1-3H3,(H2,22,30)(H,26,29)
• InChIKey: PBOISOXKKPLYGA-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 141.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.45
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55872175) is 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(-c2ccccc2NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)no1.

What is the InChIKey of 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is PBOISOXKKPLYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3/c1-11-14(12(2)28-21(24-11)16(10-23-28)19(22)30)8-9-18(29)26-17-7-5-4-6-15(17)20-25-13(3)31-27-20/h4-7,10H,8-9H2,1-3H3,(H2,22,30)(H,26,29).

What are the key properties of 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 419.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-6-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)anilino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55872175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).