1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

C24H22F3N5O — CID 162069426

About 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one

1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (PubChem CID 162069426) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

Molecular Properties

• Compound Name: 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
• PubChem CID: 162069426
• Molecular Formula: C24H22F3N5O
• Molecular Weight: 453.47 g/mol
• Exact Mass: 453.18
• IUPAC Name: 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
• SMILES: CN(C)c1ccnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1
• InChI: InChI=1S/C24H22F3N5O/c1-31(2)21-7-10-28-23(30-21)18-8-11-32-20(15-29-22(32)14-18)17-5-3-4-16(12-17)13-19(33)6-9-24(25,26)27/h3-5,7-8,10-12,14-15H,6,9,13H2,1-2H3
• InChIKey: ZAWLUTNLKYPFMO-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 63.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.47
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The IUPAC name of 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one (CID 162069426) is 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one.

What is the SMILES notation for 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The canonical SMILES for 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is CN(C)c1ccnc(-c2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)n1.

What is the InChIKey of 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

The InChIKey is ZAWLUTNLKYPFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-31(2)21-7-10-28-23(30-21)18-8-11-32-20(15-29-22(32)14-18)17-5-3-4-16(12-17)13-19(33)6-9-24(25,26)27/h3-5,7-8,10-12,14-15H,6,9,13H2,1-2H3.

What are the key properties of 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one?

1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one has a molecular weight of 453.47 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-[4-(dimethylamino)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 162069426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).