bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine

C27H37N5O9 — CID 71712150

About bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine

bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine (PubChem CID 71712150) has the molecular formula C27H37N5O9 and a molecular weight of 575.62 g/mol. Its IUPAC name is bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine
• PubChem CID: 71712150
• Molecular Formula: C27H37N5O9
• Molecular Weight: 575.62 g/mol
• Exact Mass: 575.26
• IUPAC Name: bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine
• SMILES: CN1CCC(N2CCN(CCOc3cc4ccccn4n3)CC2)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
• InChI: InChI=1S/C19H29N5O.2C4H4O4/c1-21-8-5-17(6-9-21)23-12-10-22(11-13-23)14-15-25-19-16-18-4-2-3-7-24(18)20-19;2*5-3(6)1-2-4(7)8/h2-4,7,16-17H,5-6,8-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
• InChIKey: SBIMTELRISYHGN-SPIKMXEPSA-N
• XLogP: 0.85
• TPSA: 185.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.62
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine?

The IUPAC name of bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine (CID 71712150) is bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine.

What is the SMILES notation for bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine?

The canonical SMILES for bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine is CN1CCC(N2CCN(CCOc3cc4ccccn4n3)CC2)CC1.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.

What is the InChIKey of bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine?

The InChIKey is SBIMTELRISYHGN-SPIKMXEPSA-N. The full InChI is InChI=1S/C19H29N5O.2C4H4O4/c1-21-8-5-17(6-9-21)23-12-10-22(11-13-23)14-15-25-19-16-18-4-2-3-7-24(18)20-19;2*5-3(6)1-2-4(7)8/h2-4,7,16-17H,5-6,8-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-.

What are the key properties of bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine?

bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 575.62 g/mol, XLogP of 0.85, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71712150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).