N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

C23H21F6N5O5 — CID 171686507

About N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)

N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 171686507) has the molecular formula C23H21F6N5O5 and a molecular weight of 561.44 g/mol. Its IUPAC name is N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 171686507
• Molecular Formula: C23H21F6N5O5
• Molecular Weight: 561.44 g/mol
• Exact Mass: 561.14
• IUPAC Name: N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1nc2ccccn2c1CN(C)Cc1cc(-c2ccccn2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H19N5O.2C2HF3O2/c1-14-18(24-10-6-4-8-19(24)21-14)13-23(2)12-15-11-17(22-25-15)16-7-3-5-9-20-16;2*3-2(4,5)1(6)7/h3-11H,12-13H2,1-2H3;2*(H,6,7)
• InChIKey: HDDWKLXASJQTRJ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 134.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.44
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) (CID 171686507) is N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is Cc1nc2ccccn2c1CN(C)Cc1cc(-c2ccccn2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HDDWKLXASJQTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.2C2HF3O2/c1-14-18(24-10-6-4-8-19(24)21-14)13-23(2)12-15-11-17(22-25-15)16-7-3-5-9-20-16;2*3-2(4,5)1(6)7/h3-11H,12-13H2,1-2H3;2*(H,6,7).

What are the key properties of N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)?

N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 561.44 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 171686507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).