4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C₂₉H₃₈N₈O — CID 140863792

About 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 140863792) has the molecular formula C₂₉H₃₈N₈O and a molecular weight of 514.68 g/mol. Its IUPAC name is 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

• Compound Name: 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• PubChem CID: 140863792
• Molecular Formula: C₂₉H₃₈N₈O
• Molecular Weight: 514.68 g/mol
• Exact Mass: 514.32
• IUPAC Name: 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
• SMILES: CN1CCN(C2CCN(Cc3cc4nc(-c5cccc6[nH]ccc56)cc(N5CCOCC5)n4n3)CC2)CC1
• InChI: InChI=1S/C29H38N8O/c1-33-11-13-35(14-12-33)23-6-9-34(10-7-23)21-22-19-28-31-27(24-3-2-4-26-25(24)5-8-30-26)20-29(37(28)32-22)36-15-17-38-18-16-36/h2-5,8,19-20,23,30H,6-7,9-18,21H2,1H3
• InChIKey: VJNBWPAOLXJVEU-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 68.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.68
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The IUPAC name of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 140863792) is 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

What is the SMILES notation for 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The canonical SMILES for 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is CN1CCN(C2CCN(Cc3cc4nc(-c5cccc6[nH]ccc56)cc(N5CCOCC5)n4n3)CC2)CC1.

What is the InChIKey of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

The InChIKey is VJNBWPAOLXJVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N8O/c1-33-11-13-35(14-12-33)23-6-9-34(10-7-23)21-22-19-28-31-27(24-3-2-4-26-25(24)5-8-30-26)20-29(37(28)32-22)36-15-17-38-18-16-36/h2-5,8,19-20,23,30H,6-7,9-18,21H2,1H3.

What are the key properties of 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?

4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 514.68 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(1H-indol-4-yl)-2-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 140863792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140863792 — identifiers, structure, computed properties (public domain)

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