5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

C25H24F3N5O3S — CID 68766486

About 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide

5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (PubChem CID 68766486) has the molecular formula C25H24F3N5O3S and a molecular weight of 531.56 g/mol. Its IUPAC name is 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
• PubChem CID: 68766486
• Molecular Formula: C25H24F3N5O3S
• Molecular Weight: 531.56 g/mol
• Exact Mass: 531.16
• IUPAC Name: 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide
• SMILES: C[C@@H](Oc1cc(-n2cnc3cnc(CN4CCOCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C25H24F3N5O3S/c1-15(17-4-2-3-5-18(17)25(26,27)28)36-21-11-22(37-23(21)24(29)34)33-14-31-19-12-30-16(10-20(19)33)13-32-6-8-35-9-7-32/h2-5,10-12,14-15H,6-9,13H2,1H3,(H2,29,34)/t15-/m1/s1
• InChIKey: UGFTXCDJOOYCRS-OAHLLOKOSA-N
• XLogP: 4.57
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.56
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

The IUPAC name of 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide (CID 68766486) is 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide.

What is the SMILES notation for 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

The canonical SMILES for 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is C[C@@H](Oc1cc(-n2cnc3cnc(CN4CCOCC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F.

What is the InChIKey of 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

The InChIKey is UGFTXCDJOOYCRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H24F3N5O3S/c1-15(17-4-2-3-5-18(17)25(26,27)28)36-21-11-22(37-23(21)24(29)34)33-14-31-19-12-30-16(10-20(19)33)13-32-6-8-35-9-7-32/h2-5,10-12,14-15H,6-9,13H2,1H3,(H2,29,34)/t15-/m1/s1.

What are the key properties of 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide?

5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide has a molecular weight of 531.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(morpholin-4-ylmethyl)imidazo[4,5-c]pyridin-1-yl]-3-[(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxamide is sourced from PubChem (CID 68766486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).