methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate

C33H42N4O6 — CID 126627486

About methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate

methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate (PubChem CID 126627486) has the molecular formula C33H42N4O6 and a molecular weight of 590.72 g/mol. Its IUPAC name is methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate
• PubChem CID: 126627486
• Molecular Formula: C33H42N4O6
• Molecular Weight: 590.72 g/mol
• Exact Mass: 590.31
• IUPAC Name: methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate
• SMILES: C=CCOc1ccccc1CC(O)CNC(=O)c1cc2c(N3CCC(C)(OCC=C)CC3)c(CC(=O)OC)c(C)cn2n1
• InChI: InChI=1S/C33H42N4O6/c1-6-16-42-29-11-9-8-10-24(29)18-25(38)21-34-32(40)27-20-28-31(36-14-12-33(4,13-15-36)43-17-7-2)26(19-30(39)41-5)23(3)22-37(28)35-27/h6-11,20,22,25,38H,1-2,12-19,21H2,3-5H3,(H,34,40)
• InChIKey: LFSZNEXAJZWHBU-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 114.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.72
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate?

The IUPAC name of methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate (CID 126627486) is methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate.

What is the SMILES notation for methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate?

The canonical SMILES for methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate is C=CCOc1ccccc1CC(O)CNC(=O)c1cc2c(N3CCC(C)(OCC=C)CC3)c(CC(=O)OC)c(C)cn2n1.

What is the InChIKey of methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate?

The InChIKey is LFSZNEXAJZWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O6/c1-6-16-42-29-11-9-8-10-24(29)18-25(38)21-34-32(40)27-20-28-31(36-14-12-33(4,13-15-36)43-17-7-2)26(19-30(39)41-5)23(3)22-37(28)35-27/h6-11,20,22,25,38H,1-2,12-19,21H2,3-5H3,(H,34,40).

What are the key properties of methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate?

methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate has a molecular weight of 590.72 g/mol, XLogP of 3.82, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[2-[[2-hydroxy-3-(2-prop-2-enoxyphenyl)propyl]carbamoyl]-6-methyl-4-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyridin-5-yl]acetate is sourced from PubChem (CID 126627486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).