N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C27H24F2N4O2S — CID 90232466

About N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90232466) has the molecular formula C27H24F2N4O2S and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90232466
• Molecular Formula: C27H24F2N4O2S
• Molecular Weight: 506.58 g/mol
• Exact Mass: 506.16
• IUPAC Name: N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3csc4ccccc34)n2c1
• InChI: InChI=1S/C27H24F2N4O2S/c1-15-10-23(35-13-18-20(28)7-5-8-21(18)29)26-31-16(2)25(33(26)12-15)27(34)32-22(11-30)19-14-36-24-9-4-3-6-17(19)24/h3-10,12,14,22H,11,13,30H2,1-2H3,(H,32,34)
• InChIKey: NBEQTBKGJXDLLQ-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 81.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.58
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 90232466) is N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(C(=O)NC(CN)c3csc4ccccc34)n2c1.

What is the InChIKey of N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is NBEQTBKGJXDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O2S/c1-15-10-23(35-13-18-20(28)7-5-8-21(18)29)26-31-16(2)25(33(26)12-15)27(34)32-22(11-30)19-14-36-24-9-4-3-6-17(19)24/h3-10,12,14,22H,11,13,30H2,1-2H3,(H,32,34).

What are the key properties of N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-1-(1-benzothiophen-3-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90232466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).