tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate

C27H32N8O4 — CID 155209326

About tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate

tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate (PubChem CID 155209326) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate
• PubChem CID: 155209326
• Molecular Formula: C27H32N8O4
• Molecular Weight: 532.61 g/mol
• Exact Mass: 532.25
• IUPAC Name: tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate
• SMILES: Cc1cnc2ccc(-c3nc(C(=O)NCC4(C)CCCN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12
• InChI: InChI=1S/C27H32N8O4/c1-16-13-30-18-8-7-17(14-34(16)18)19-20(24-29-10-12-38-24)33-22(28)21(32-19)23(36)31-15-27(5)9-6-11-35(27)25(37)39-26(2,3)4/h7-8,10,12-14H,6,9,11,15H2,1-5H3,(H2,28,33)(H,31,36)
• InChIKey: JFPFIJOZFUXHBE-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 153.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate?

The IUPAC name of tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate (CID 155209326) is tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate.

What is the SMILES notation for tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate?

The canonical SMILES for tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate is Cc1cnc2ccc(-c3nc(C(=O)NCC4(C)CCCN4C(=O)OC(C)(C)C)c(N)nc3-c3ncco3)cn12.

What is the InChIKey of tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate?

The InChIKey is JFPFIJOZFUXHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O4/c1-16-13-30-18-8-7-17(14-34(16)18)19-20(24-29-10-12-38-24)33-22(28)21(32-19)23(36)31-15-27(5)9-6-11-35(27)25(37)39-26(2,3)4/h7-8,10,12-14H,6,9,11,15H2,1-5H3,(H2,28,33)(H,31,36).

What are the key properties of tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate?

tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate has a molecular weight of 532.61 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[[3-amino-6-(3-methylimidazo[1,2-a]pyridin-6-yl)-5-(1,3-oxazol-2-yl)pyrazine-2-carbonyl]amino]methyl]-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 155209326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).