Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol

C₄₁H₅₃N₃O₅ — CID 144727510

About Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol

Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol (PubChem CID 144727510) has the molecular formula C₄₁H₅₃N₃O₅ and a molecular weight of 667.89 g/mol. Its IUPAC name is methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol.

Molecular Properties

• Compound Name: Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol
• PubChem CID: 144727510
• Molecular Formula: C₄₁H₅₃N₃O₅
• Molecular Weight: 667.89 g/mol
• Exact Mass: 667.40
• IUPAC Name: methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol
• SMILES: C=CCCOc1ccc(C)cc1-c1cccc(-c2cc3c(N4CCC(C)(OCC=C)CC4)c(CC(=O)OC)c(C)cn3n2)c1.CC(C)(C)O
• InChI: InChI=1S/C37H43N3O4.C4H10O/c1-7-9-20-43-34-14-13-26(3)21-31(34)28-11-10-12-29(22-28)32-24-33-36(39-17-15-37(5,16-18-39)44-19-8-2)30(23-35(41)42-6)27(4)25-40(33)38-32;1-4(2,3)5/h7-8,10-14,21-22,24-25H,1-2,9,15-20,23H2,3-6H3;5H,1-3H3
• InChIKey: SUYPGVXQJPEVON-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 85.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.89
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?

The IUPAC name of Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol (CID 144727510) is methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol.

What is the SMILES notation for Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?

The canonical SMILES for Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol is C=CCCOc1ccc(C)cc1-c1cccc(-c2cc3c(N4CCC(C)(OCC=C)CC4)c(CC(=O)OC)c(C)cn3n2)c1.CC(C)(C)O.

What is the InChIKey of Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?

The InChIKey is SUYPGVXQJPEVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N3O4.C4H10O/c1-7-9-20-43-34-14-13-26(3)21-31(34)28-11-10-12-29(22-28)32-24-33-36(39-17-15-37(5,16-18-39)44-19-8-2)30(23-35(41)42-6)27(4)25-40(33)38-32;1-4(2,3)5/h7-8,10-14,21-22,24-25H,1-2,9,15-20,23H2,3-6H3;5H,1-3H3.

What are the key properties of Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol?

Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol has a molecular weight of 667.89 g/mol, XLogP of 8.29, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[2-[3-(2-but-3-enoxy-5-methylphenyl)phenyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate;2-methylpropan-2-ol is sourced from PubChem (CID 144727510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144727510 — identifiers, structure, computed properties (public domain)

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