3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C28H29FN6O4 — CID 175842551

About 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 175842551) has the molecular formula C28H29FN6O4 and a molecular weight of 532.58 g/mol. Its IUPAC name is 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

• Compound Name: 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
• PubChem CID: 175842551
• Molecular Formula: C28H29FN6O4
• Molecular Weight: 532.58 g/mol
• Exact Mass: 532.22
• IUPAC Name: 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
• SMILES: COc1ccc(-c2cnc3c(Nc4cccc(C(=O)N(C)CC(=O)N5CCOCC5)c4C)nccn23)cc1F
• InChI: InChI=1S/C28H29FN6O4/c1-18-20(28(37)33(2)17-25(36)34-11-13-39-14-12-34)5-4-6-22(18)32-26-27-31-16-23(35(27)10-9-30-26)19-7-8-24(38-3)21(29)15-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,30,32)
• InChIKey: HNBBTKANVFOJEK-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 101.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.58
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?

The IUPAC name of 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 175842551) is 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

What is the SMILES notation for 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?

The canonical SMILES for 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is COc1ccc(-c2cnc3c(Nc4cccc(C(=O)N(C)CC(=O)N5CCOCC5)c4C)nccn23)cc1F.

What is the InChIKey of 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?

The InChIKey is HNBBTKANVFOJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O4/c1-18-20(28(37)33(2)17-25(36)34-11-13-39-14-12-34)5-4-6-22(18)32-26-27-31-16-23(35(27)10-9-30-26)19-7-8-24(38-3)21(29)15-19/h4-10,15-16H,11-14,17H2,1-3H3,(H,30,32).

What are the key properties of 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?

3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 532.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 175842551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).