methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

C31H30F3N5O4S — CID 171355847

About methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate

methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate (PubChem CID 171355847) has the molecular formula C31H30F3N5O4S and a molecular weight of 625.67 g/mol. Its IUPAC name is methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
• PubChem CID: 171355847
• Molecular Formula: C31H30F3N5O4S
• Molecular Weight: 625.67 g/mol
• Exact Mass: 625.20
• IUPAC Name: methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
• SMILES: COC(=O)c1sc(-c2cnc3cc(-c4cnn(CCN5CCOCC5)c4)ccn23)cc1OC(C)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C31H30F3N5O4S/c1-20(23-5-3-4-6-24(23)31(32,33)34)43-26-16-27(44-29(26)30(40)41-2)25-18-35-28-15-21(7-8-39(25)28)22-17-36-38(19-22)10-9-37-11-13-42-14-12-37/h3-8,15-20H,9-14H2,1-2H3
• InChIKey: GOJNIUOOFFVFAU-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 83.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.67
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?

The IUPAC name of methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate (CID 171355847) is methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate.

What is the SMILES notation for methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?

The canonical SMILES for methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate is COC(=O)c1sc(-c2cnc3cc(-c4cnn(CCN5CCOCC5)c4)ccn23)cc1OC(C)c1ccccc1C(F)(F)F.

What is the InChIKey of methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?

The InChIKey is GOJNIUOOFFVFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N5O4S/c1-20(23-5-3-4-6-24(23)31(32,33)34)43-26-16-27(44-29(26)30(40)41-2)25-18-35-28-15-21(7-8-39(25)28)22-17-36-38(19-22)10-9-37-11-13-42-14-12-37/h3-8,15-20H,9-14H2,1-2H3.

What are the key properties of methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate?

methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate has a molecular weight of 625.67 g/mol, XLogP of 6.20, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate is sourced from PubChem (CID 171355847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).