1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide

C27H27FN6O2 — CID 144718028

About 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide

1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide (PubChem CID 144718028) has the molecular formula C27H27FN6O2 and a molecular weight of 486.55 g/mol. Its IUPAC name is 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide.

Molecular Properties

• Compound Name: 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide
• PubChem CID: 144718028
• Molecular Formula: C27H27FN6O2
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.22
• IUPAC Name: 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide
• SMILES: Cc1nc(C)c(-c2ccc(F)c(-c3cn4cc(-c5ccc(CN(C)C)cc5)cnc4n3)c2)o1.NC=O
• InChI: InChI=1S/C26H24FN5O.CH3NO/c1-16-25(33-17(2)29-16)20-9-10-23(27)22(11-20)24-15-32-14-21(12-28-26(32)30-24)19-7-5-18(6-8-19)13-31(3)4;2-1-3/h5-12,14-15H,13H2,1-4H3;1H,(H2,2,3)
• InChIKey: CQRHSNOLDDIWTE-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 102.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide?

The IUPAC name of 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide (CID 144718028) is 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide.

What is the SMILES notation for 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide?

The canonical SMILES for 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide is Cc1nc(C)c(-c2ccc(F)c(-c3cn4cc(-c5ccc(CN(C)C)cc5)cnc4n3)c2)o1.NC=O.

What is the InChIKey of 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide?

The InChIKey is CQRHSNOLDDIWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O.CH3NO/c1-16-25(33-17(2)29-16)20-9-10-23(27)22(11-20)24-15-32-14-21(12-28-26(32)30-24)19-7-5-18(6-8-19)13-31(3)4;2-1-3/h5-12,14-15H,13H2,1-4H3;1H,(H2,2,3).

What are the key properties of 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide?

1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide has a molecular weight of 486.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-2-fluorophenyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N,N-dimethylmethanamine;formamide is sourced from PubChem (CID 144718028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).