N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C21H22N4O3 — CID 93052356

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 93052356) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• PubChem CID: 93052356
• Molecular Formula: C21H22N4O3
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.17
• IUPAC Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
• SMILES: C[C@H](Cc1ccco1)NC(=O)c1ccc(CN2C(=O)CCn3nccc32)cc1
• InChI: InChI=1S/C21H22N4O3/c1-15(13-18-3-2-12-28-18)23-21(27)17-6-4-16(5-7-17)14-24-19-8-10-22-25(19)11-9-20(24)26/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,23,27)/t15-/m1/s1
• InChIKey: JFWOXWGWNLXZSU-OAHLLOKOSA-N
• XLogP: 2.77
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 93052356) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

What is the SMILES notation for N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is C[C@H](Cc1ccco1)NC(=O)c1ccc(CN2C(=O)CCn3nccc32)cc1.

What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

The InChIKey is JFWOXWGWNLXZSU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(13-18-3-2-12-28-18)23-21(27)17-6-4-16(5-7-17)14-24-19-8-10-22-25(19)11-9-20(24)26/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,23,27)/t15-/m1/s1.

What are the key properties of N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?

N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 93052356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).