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

C32H32F3N5O3S — CID 171343537

About methyl 5-[7-[1-(2-piperidin-1-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-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate (PubChem CID 171343537) has the molecular formula C32H32F3N5O3S and a molecular weight of 623.70 g/mol. Its IUPAC name is methyl 5-[7-[1-(2-piperidin-1-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-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate
• PubChem CID: 171343537
• Molecular Formula: C32H32F3N5O3S
• Molecular Weight: 623.70 g/mol
• Exact Mass: 623.22
• IUPAC Name: methyl 5-[7-[1-(2-piperidin-1-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(CCN5CCCCC5)c4)ccn23)cc1OC(C)c1ccccc1C(F)(F)F
• InChI: InChI=1S/C32H32F3N5O3S/c1-21(24-8-4-5-9-25(24)32(33,34)35)43-27-17-28(44-30(27)31(41)42-2)26-19-36-29-16-22(10-13-40(26)29)23-18-37-39(20-23)15-14-38-11-6-3-7-12-38/h4-5,8-10,13,16-21H,3,6-7,11-12,14-15H2,1-2H3
• InChIKey: REEHTDWOMGKNQD-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 73.89 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.70
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 5-[7-[1-(2-piperidin-1-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-piperidin-1-ylethyl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[1-[2-(trifluoromethyl)phenyl]ethoxy]thiophene-2-carboxylate (CID 171343537) is methyl 5-[7-[1-(2-piperidin-1-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-piperidin-1-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-piperidin-1-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(CCN5CCCCC5)c4)ccn23)cc1OC(C)c1ccccc1C(F)(F)F.

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

The InChIKey is REEHTDWOMGKNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O3S/c1-21(24-8-4-5-9-25(24)32(33,34)35)43-27-17-28(44-30(27)31(41)42-2)26-19-36-29-16-22(10-13-40(26)29)23-18-37-39(20-23)15-14-38-11-6-3-7-12-38/h4-5,8-10,13,16-21H,3,6-7,11-12,14-15H2,1-2H3.

What are the key properties of methyl 5-[7-[1-(2-piperidin-1-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-piperidin-1-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 623.70 g/mol, XLogP of 7.36, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[7-[1-(2-piperidin-1-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 171343537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).