4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

C27H25F3N4O4 — CID 126743803

About 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid

4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743803) has the molecular formula C27H25F3N4O4 and a molecular weight of 526.52 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 126743803
• Molecular Formula: C27H25F3N4O4
• Molecular Weight: 526.52 g/mol
• Exact Mass: 526.18
• IUPAC Name: 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: CC(C)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
• InChI: InChI=1S/C27H25F3N4O4/c1-16(2)24-23-21(17-3-5-18(6-4-17)33-11-13-37-14-12-33)15-22(26(35)36)31-25(23)34(32-24)19-7-9-20(10-8-19)38-27(28,29)30/h3-10,15-16H,11-14H2,1-2H3,(H,35,36)
• InChIKey: CANMADYBKUXUKO-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 89.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.52
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743803) is 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is CC(C)c1nn(-c2ccc(OC(F)(F)F)cc2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.

What is the InChIKey of 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is CANMADYBKUXUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O4/c1-16(2)24-23-21(17-3-5-18(6-4-17)33-11-13-37-14-12-33)15-22(26(35)36)31-25(23)34(32-24)19-7-9-20(10-8-19)38-27(28,29)30/h3-10,15-16H,11-14H2,1-2H3,(H,35,36).

What are the key properties of 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?

4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 526.52 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-morpholin-4-ylphenyl)-3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).