7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

C21H21N5O3 — CID 172615362

About 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide

7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (PubChem CID 172615362) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

Molecular Properties

• Compound Name: 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
• PubChem CID: 172615362
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
• SMILES: NC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3Cc4ccccc4C3)ccnc12
• InChI: InChI=1S/C21H21N5O3/c22-19(27)17-18(16-6-3-9-29-16)25-26-15(7-8-23-20(17)26)21(28)24-14-10-12-4-1-2-5-13(12)11-14/h1-2,4-5,7-8,14,16H,3,6,9-11H2,(H2,22,27)(H,24,28)
• InChIKey: PHFAUVYQBIXJGG-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 111.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?

The IUPAC name of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide (CID 172615362) is 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide.

What is the SMILES notation for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?

The canonical SMILES for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is NC(=O)c1c(C2CCCO2)nn2c(C(=O)NC3Cc4ccccc4C3)ccnc12.

What is the InChIKey of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?

The InChIKey is PHFAUVYQBIXJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c22-19(27)17-18(16-6-3-9-29-16)25-26-15(7-8-23-20(17)26)21(28)24-14-10-12-4-1-2-5-13(12)11-14/h1-2,4-5,7-8,14,16H,3,6,9-11H2,(H2,22,27)(H,24,28).

What are the key properties of 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide?

7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide has a molecular weight of 391.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-2-yl)pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide is sourced from PubChem (CID 172615362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).