3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

C₂₈H₃₄FN₅O₃ — CID 126741815

About 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126741815) has the molecular formula C₂₈H₃₄FN₅O₃ and a molecular weight of 507.61 g/mol. Its IUPAC name is 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126741815
• Molecular Formula: C₂₈H₃₄FN₅O₃
• Molecular Weight: 507.61 g/mol
• Exact Mass: 507.26
• IUPAC Name: 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: CC(C1CCN(c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccc(F)cc2)CC1)N1CCOCC1
• InChI: InChI=1S/C28H34FN5O3/c1-18(32-13-15-37-16-14-32)19-9-11-33(12-10-19)24-17-23(28(35)36)30-27-25(24)26(20-3-2-4-20)31-34(27)22-7-5-21(29)6-8-22/h5-8,17-20H,2-4,9-16H2,1H3,(H,35,36)
• InChIKey: HTFYIDYNTKSFBY-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 83.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.61
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126741815) is 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C1CCN(c2cc(C(=O)O)nc3c2c(C2CCC2)nn3-c2ccc(F)cc2)CC1)N1CCOCC1.

What is the InChIKey of 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is HTFYIDYNTKSFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3/c1-18(32-13-15-37-16-14-32)19-9-11-33(12-10-19)24-17-23(28(35)36)30-27-25(24)26(20-3-2-4-20)31-34(27)22-7-5-21(29)6-8-22/h5-8,17-20H,2-4,9-16H2,1H3,(H,35,36).

What are the key properties of 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 507.61 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126741815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 126741815 — identifiers, structure, computed properties (public domain)

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