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

C27H28F2N4O3 — CID 118403399

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

N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 118403399) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 118403399
• Molecular Formula: C27H28F2N4O3
• Molecular Weight: 494.54 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COc1ccc(C(C)(CN)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)cc1
• InChI: InChI=1S/C27H28F2N4O3/c1-16-12-23(36-14-20-21(28)6-5-7-22(20)29)25-31-17(2)24(33(25)13-16)26(34)32-27(3,15-30)18-8-10-19(35-4)11-9-18/h5-13H,14-15,30H2,1-4H3,(H,32,34)
• InChIKey: YQNNAGVEDLIRAB-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 90.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 118403399) is N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is COc1ccc(C(C)(CN)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cc(C)cn23)cc1.

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

The InChIKey is YQNNAGVEDLIRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-16-12-23(36-14-20-21(28)6-5-7-22(20)29)25-31-17(2)24(33(25)13-16)26(34)32-27(3,15-30)18-8-10-19(35-4)11-9-18/h5-13H,14-15,30H2,1-4H3,(H,32,34).

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

N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-amino-2-(4-methoxyphenyl)propan-2-yl]-8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 118403399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).