[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C25H26N6O4 — CID 174241589

About [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 174241589) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
• PubChem CID: 174241589
• Molecular Formula: C25H26N6O4
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.20
• IUPAC Name: [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
• SMILES: COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5ccc[nH]5)C(C)C4)nn23)cc1OC
• InChI: InChI=1S/C25H26N6O4/c1-16-15-29(11-12-30(16)25(33)18-5-4-9-26-18)24(32)19-14-23-27-10-8-20(31(23)28-19)17-6-7-21(34-2)22(13-17)35-3/h4-10,13-14,16,26H,11-12,15H2,1-3H3
• InChIKey: UQIWIQTVVTVDJL-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 105.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?

The IUPAC name of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 174241589) is [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

What is the SMILES notation for [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?

The canonical SMILES for [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is COc1ccc(-c2ccnc3cc(C(=O)N4CCN(C(=O)c5ccc[nH]5)C(C)C4)nn23)cc1OC.

What is the InChIKey of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?

The InChIKey is UQIWIQTVVTVDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-16-15-29(11-12-30(16)25(33)18-5-4-9-26-18)24(32)19-14-23-27-10-8-20(31(23)28-19)17-6-7-21(34-2)22(13-17)35-3/h4-10,13-14,16,26H,11-12,15H2,1-3H3.

What are the key properties of [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone?

[4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 474.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2-methylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 174241589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).