N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C₂₀H₂₁N₅O₂ — CID 145338503

About N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145338503) has the molecular formula C₂₀H₂₁N₅O₂ and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 145338503
• Molecular Formula: C₂₀H₂₁N₅O₂
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.17
• IUPAC Name: N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1
• InChI: InChI=1S/C20H21N5O2/c1-13-9-14-10-16(17(11-18(14)27-13)24-6-2-3-7-24)23-20(26)15-12-22-25-8-4-5-21-19(15)25/h4-5,8,10-13H,2-3,6-7,9H2,1H3,(H,23,26)
• InChIKey: IXAKZAWBYPUSFS-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 71.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145338503) is N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCCC3)cc2O1.

What is the InChIKey of N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is IXAKZAWBYPUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-9-14-10-16(17(11-18(14)27-13)24-6-2-3-7-24)23-20(26)15-12-22-25-8-4-5-21-19(15)25/h4-5,8,10-13H,2-3,6-7,9H2,1H3,(H,23,26).

What are the key properties of N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145338503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145338503 — identifiers, structure, computed properties (public domain)

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