N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C23H23F2N5O2S — CID 90232440

About N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90232440) has the molecular formula C23H23F2N5O2S and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90232440
• Molecular Formula: C23H23F2N5O2S
• Molecular Weight: 471.53 g/mol
• Exact Mass: 471.15
• IUPAC Name: N-[2-amino-2-(2-methyl-1,3-thiazol-4-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)NCC(N)c3csc(C)n3)n2c1
• InChI: InChI=1S/C23H23F2N5O2S/c1-12-7-20(32-10-15-16(24)5-4-6-17(15)25)22-28-13(2)21(30(22)9-12)23(31)27-8-18(26)19-11-33-14(3)29-19/h4-7,9,11,18H,8,10,26H2,1-3H3,(H,27,31)
• InChIKey: PUSJYXURZSCRSJ-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 94.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.53
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 90232440) is N-[2-amino-2-(2-methyl-1,3-thiazol-4-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-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-amino-2-(2-methyl-1,3-thiazol-4-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)NCC(N)c3csc(C)n3)n2c1.

What is the InChIKey of N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is PUSJYXURZSCRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2S/c1-12-7-20(32-10-15-16(24)5-4-6-17(15)25)22-28-13(2)21(30(22)9-12)23(31)27-8-18(26)19-11-33-14(3)29-19/h4-7,9,11,18H,8,10,26H2,1-3H3,(H,27,31).

What are the key properties of N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90232440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).