tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

C51H54F2N12O6 — CID 158825973

About tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide

tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 158825973) has the molecular formula C51H54F2N12O6 and a molecular weight of 969.07 g/mol. Its IUPAC name is tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• PubChem CID: 158825973
• Molecular Formula: C51H54F2N12O6
• Molecular Weight: 969.07 g/mol
• Exact Mass: 968.43
• IUPAC Name: tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C5CCN(C(=O)OC(C)(C)C)CC5)cnc4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C5CCNCC5)cnc4n3)c2)o1
• InChI: InChI=1S/C28H31FN6O4.C23H23FN6O2/c1-16-24(38-17(2)31-16)25(36)32-20-6-7-22(29)21(12-20)23-15-35-14-19(13-30-26(35)33-23)18-8-10-34(11-9-18)27(37)39-28(3,4)5;1-13-21(32-14(2)27-13)22(31)28-17-3-4-19(24)18(9-17)20-12-30-11-16(10-26-23(30)29-20)15-5-7-25-8-6-15/h6-7,12-15,18H,8-11H2,1-5H3,(H,32,36);3-4,9-12,15,25H,5-8H2,1-2H3,(H,28,31)
• InChIKey: IWLOREHBPVTTRG-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 212.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	969.07
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The IUPAC name of tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 158825973) is tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide.

What is the SMILES notation for tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The canonical SMILES for tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C5CCN(C(=O)OC(C)(C)C)CC5)cnc4n3)c2)o1.Cc1nc(C)c(C(=O)Nc2ccc(F)c(-c3cn4cc(C5CCNCC5)cnc4n3)c2)o1.

What is the InChIKey of tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

The InChIKey is IWLOREHBPVTTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O4.C23H23FN6O2/c1-16-24(38-17(2)31-16)25(36)32-20-6-7-22(29)21(12-20)23-15-35-14-19(13-30-26(35)33-23)18-8-10-34(11-9-18)27(37)39-28(3,4)5;1-13-21(32-14(2)27-13)22(31)28-17-3-4-19(24)18(9-17)20-12-30-11-16(10-26-23(30)29-20)15-5-7-25-8-6-15/h6-7,12-15,18H,8-11H2,1-5H3,(H,32,36);3-4,9-12,15,25H,5-8H2,1-2H3,(H,28,31).

What are the key properties of tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide?

tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 969.07 g/mol, XLogP of 9.37, 8 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[5-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]piperidine-1-carboxylate;N-[4-fluoro-3-(6-piperidin-4-ylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 158825973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).