N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

C27H17F4N5O2 — CID 140861904

About N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide

N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (PubChem CID 140861904) has the molecular formula C27H17F4N5O2 and a molecular weight of 519.46 g/mol. Its IUPAC name is N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
• PubChem CID: 140861904
• Molecular Formula: C27H17F4N5O2
• Molecular Weight: 519.46 g/mol
• Exact Mass: 519.13
• IUPAC Name: N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
• SMILES: CC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12
• InChI: InChI=1S/C27H17F4N5O2/c1-15(37)22-14-34-25-23(17(8-11-36(22)25)16-6-3-2-4-7-16)35-26(38)19-12-18(24-32-9-5-10-33-24)20(13-21(19)28)27(29,30)31/h2-14H,1H3,(H,35,38)
• InChIKey: UQFKRNGKJCKNBZ-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 89.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.46
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?

The IUPAC name of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide (CID 140861904) is N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is CC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3ccccc3)ccn12.

What is the InChIKey of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?

The InChIKey is UQFKRNGKJCKNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F4N5O2/c1-15(37)22-14-34-25-23(17(8-11-36(22)25)16-6-3-2-4-7-16)35-26(38)19-12-18(24-32-9-5-10-33-24)20(13-21(19)28)27(29,30)31/h2-14H,1H3,(H,35,38).

What are the key properties of N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide?

N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide has a molecular weight of 519.46 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-acetyl-7-phenylimidazo[1,2-a]pyridin-8-yl)-2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 140861904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).