N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C23H26N8O3 — CID 27478851

About N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 27478851) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 27478851
• Molecular Formula: C23H26N8O3
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.21
• IUPAC Name: N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cc(C)on3)CC2)cc1
• InChI: InChI=1S/C23H26N8O3/c1-16-13-20(28-34-16)23(32)24-7-8-31-22-19(14-27-31)21(25-15-26-22)30-11-9-29(10-12-30)17-3-5-18(33-2)6-4-17/h3-6,13-15H,7-12H2,1-2H3,(H,24,32)
• InChIKey: HKRHBHDNZSZNOC-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 114.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 27478851) is N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)c3cc(C)on3)CC2)cc1.

What is the InChIKey of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is HKRHBHDNZSZNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-16-13-20(28-34-16)23(32)24-7-8-31-22-19(14-27-31)21(25-15-26-22)30-11-9-29(10-12-30)17-3-5-18(33-2)6-4-17/h3-6,13-15H,7-12H2,1-2H3,(H,24,32).

What are the key properties of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 27478851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).