5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C27H28F3N5O — CID 147776122

About 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 147776122) has the molecular formula C27H28F3N5O and a molecular weight of 495.55 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 147776122
• Molecular Formula: C27H28F3N5O
• Molecular Weight: 495.55 g/mol
• Exact Mass: 495.22
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: CN1CCC(n2cc(-c3ccn4c(-c5cccc(CC(=O)CCC(F)(F)F)c5)cnc4c3)cn2)CC1
• InChI: InChI=1S/C27H28F3N5O/c1-33-10-7-23(8-11-33)35-18-22(16-32-35)20-6-12-34-25(17-31-26(34)15-20)21-4-2-3-19(13-21)14-24(36)5-9-27(28,29)30/h2-4,6,12-13,15-18,23H,5,7-11,14H2,1H3
• InChIKey: HGWGHWBOXMOWQW-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 55.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 147776122) is 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CN1CCC(n2cc(-c3ccn4c(-c5cccc(CC(=O)CCC(F)(F)F)c5)cnc4c3)cn2)CC1.

What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The InChIKey is HGWGHWBOXMOWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O/c1-33-10-7-23(8-11-33)35-18-22(16-32-35)20-6-12-34-25(17-31-26(34)15-20)21-4-2-3-19(13-21)14-24(36)5-9-27(28,29)30/h2-4,6,12-13,15-18,23H,5,7-11,14H2,1H3.

What are the key properties of 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 495.55 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 147776122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).