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

C20H25N7O3 — CID 55736472

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

5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55736472) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55736472
• Molecular Formula: C20H25N7O3
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.20
• IUPAC Name: 5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: Cc1nc(C2(NC(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)CCCC2)no1
• InChI: InChI=1S/C20H25N7O3/c1-11-14(12(2)27-18(23-11)15(10-22-27)17(21)29)6-7-16(28)25-20(8-4-5-9-20)19-24-13(3)30-26-19/h10H,4-9H2,1-3H3,(H2,21,29)(H,25,28)
• InChIKey: XLVMNOHJDADBLT-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 141.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55736472) is 5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

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

The canonical SMILES for 5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(C2(NC(=O)CCc3c(C)nc4c(C(N)=O)cnn4c3C)CCCC2)no1.

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

The InChIKey is XLVMNOHJDADBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O3/c1-11-14(12(2)27-18(23-11)15(10-22-27)17(21)29)6-7-16(28)25-20(8-4-5-9-20)19-24-13(3)30-26-19/h10H,4-9H2,1-3H3,(H2,21,29)(H,25,28).

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

5,7-dimethyl-6-[3-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 1.65, 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-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]-3-oxopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55736472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).