5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine

C25H20F4N6O2S — CID 87616211

About 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine

5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine (PubChem CID 87616211) has the molecular formula C25H20F4N6O2S and a molecular weight of 544.53 g/mol. Its IUPAC name is 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 87616211
• Molecular Formula: C25H20F4N6O2S
• Molecular Weight: 544.53 g/mol
• Exact Mass: 544.13
• IUPAC Name: 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine
• SMILES: CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4C(F)(F)F)nc3-c3ccccc3)nc21
• InChI: InChI=1S/C25H20F4N6O2S/c1-13(2)38(36,37)35-23-18(32-24(35)30)12-11-17(31-23)21-20(14-7-4-3-5-8-14)33-22(34-21)19-15(25(27,28)29)9-6-10-16(19)26/h3-13H,1-2H3,(H2,30,32)(H,33,34)
• InChIKey: OCDRLAGXWUUQLW-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 119.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.53
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine (CID 87616211) is 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4C(F)(F)F)nc3-c3ccccc3)nc21.

What is the InChIKey of 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine?

The InChIKey is OCDRLAGXWUUQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N6O2S/c1-13(2)38(36,37)35-23-18(32-24(35)30)12-11-17(31-23)21-20(14-7-4-3-5-8-14)33-22(34-21)19-15(25(27,28)29)9-6-10-16(19)26/h3-13H,1-2H3,(H2,30,32)(H,33,34).

What are the key properties of 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine?

5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 544.53 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-fluoro-6-(trifluoromethyl)phenyl]-4-phenyl-1H-imidazol-5-yl]-3-propan-2-ylsulfonylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 87616211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).