methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

C30H37FN4O5 — CID 126741357

About methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate

methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741357) has the molecular formula C30H37FN4O5 and a molecular weight of 552.65 g/mol. Its IUPAC name is methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
• PubChem CID: 126741357
• Molecular Formula: C30H37FN4O5
• Molecular Weight: 552.65 g/mol
• Exact Mass: 552.27
• IUPAC Name: methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
• SMILES: COC(=O)c1cc(C2CCN(CC3CC(OC)OC3OC)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
• InChI: InChI=1S/C30H37FN4O5/c1-37-25-15-20(30(39-3)40-25)17-34-13-11-18(12-14-34)23-16-24(29(36)38-2)32-28-26(23)27(19-5-4-6-19)33-35(28)22-9-7-21(31)8-10-22/h7-10,16,18-20,25,30H,4-6,11-15,17H2,1-3H3
• InChIKey: YZBLXJSEDOJRKE-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 87.94 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.65
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?

The IUPAC name of methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741357) is methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate.

What is the SMILES notation for methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?

The canonical SMILES for methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is COC(=O)c1cc(C2CCN(CC3CC(OC)OC3OC)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.

What is the InChIKey of methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?

The InChIKey is YZBLXJSEDOJRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN4O5/c1-37-25-15-20(30(39-3)40-25)17-34-13-11-18(12-14-34)23-16-24(29(36)38-2)32-28-26(23)27(19-5-4-6-19)33-35(28)22-9-7-21(31)8-10-22/h7-10,16,18-20,25,30H,4-6,11-15,17H2,1-3H3.

What are the key properties of methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate?

methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 552.65 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-cyclobutyl-4-[1-[(2,5-dimethoxyoxolan-3-yl)methyl]piperidin-4-yl]-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).