1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

C41H26F3N5O3 — CID 139231986

About 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231986) has the molecular formula C41H26F3N5O3 and a molecular weight of 693.69 g/mol. Its IUPAC name is 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
• PubChem CID: 139231986
• Molecular Formula: C41H26F3N5O3
• Molecular Weight: 693.69 g/mol
• Exact Mass: 693.20
• IUPAC Name: 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
• SMILES: O=c1n(Cc2cc(-c3ccc4ccccc4c3)no2)c2nc(-c3ccccc3)cc(C(F)(F)F)c2n1Cc1cc(-c2ccc3ccccc3c2)no1
• InChI: InChI=1S/C41H26F3N5O3/c42-41(43,44)34-22-35(27-10-2-1-3-11-27)45-39-38(34)48(23-32-20-36(46-51-32)30-16-14-25-8-4-6-12-28(25)18-30)40(50)49(39)24-33-21-37(47-52-33)31-17-15-26-9-5-7-13-29(26)19-31/h1-22H,23-24H2
• InChIKey: SHWAVNHJJSDBTN-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 91.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	693.69
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231986) is 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is O=c1n(Cc2cc(-c3ccc4ccccc4c3)no2)c2nc(-c3ccccc3)cc(C(F)(F)F)c2n1Cc1cc(-c2ccc3ccccc3c2)no1.

What is the InChIKey of 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

The InChIKey is SHWAVNHJJSDBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26F3N5O3/c42-41(43,44)34-22-35(27-10-2-1-3-11-27)45-39-38(34)48(23-32-20-36(46-51-32)30-16-14-25-8-4-6-12-28(25)18-30)40(50)49(39)24-33-21-37(47-52-33)31-17-15-26-9-5-7-13-29(26)19-31/h1-22H,23-24H2.

What are the key properties of 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?

1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 693.69 g/mol, XLogP of 9.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[(3-naphthalen-2-yl-1,2-oxazol-5-yl)methyl]-5-phenyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).