3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C27H33FN6O4 — CID 126743512

About 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743512) has the molecular formula C27H33FN6O4 and a molecular weight of 524.60 g/mol. Its IUPAC name is 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126743512
• Molecular Formula: C27H33FN6O4
• Molecular Weight: 524.60 g/mol
• Exact Mass: 524.25
• IUPAC Name: 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(OCCF)nc3)c2n1
• InChI: InChI=1S/C27H33FN6O4/c28-8-13-38-23-5-4-20(17-29-23)34-26-24(25(31-34)18-2-1-3-18)22(16-21(30-26)27(35)36)33-9-6-19(7-10-33)32-11-14-37-15-12-32/h4-5,16-19H,1-3,6-15H2,(H,35,36)
• InChIKey: SVHGMHPFRRBXED-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 105.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.60
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743512) is 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(OCCF)nc3)c2n1.

What is the InChIKey of 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is SVHGMHPFRRBXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O4/c28-8-13-38-23-5-4-20(17-29-23)34-26-24(25(31-34)18-2-1-3-18)22(16-21(30-26)27(35)36)33-9-6-19(7-10-33)32-11-14-37-15-12-32/h4-5,16-19H,1-3,6-15H2,(H,35,36).

What are the key properties of 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 524.60 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-1-[6-(2-fluoroethoxy)-3-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).