(7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C20H14F3N3O3 — CID 51688581

About (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51688581) has the molecular formula C20H14F3N3O3 and a molecular weight of 401.34 g/mol. Its IUPAC name is (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
• PubChem CID: 51688581
• Molecular Formula: C20H14F3N3O3
• Molecular Weight: 401.34 g/mol
• Exact Mass: 401.10
• IUPAC Name: (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
• SMILES: O=C1C[C@H](c2ccc3c(c2)OCO3)c2ncn(-c3cccc(C(F)(F)F)c3)c2N1
• InChI: InChI=1S/C20H14F3N3O3/c21-20(22,23)12-2-1-3-13(7-12)26-9-24-18-14(8-17(27)25-19(18)26)11-4-5-15-16(6-11)29-10-28-15/h1-7,9,14H,8,10H2,(H,25,27)/t14-/m1/s1
• InChIKey: JWQKRXRTYBLRSC-CQSZACIVSA-N
• XLogP: 4.09
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.34
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The IUPAC name of (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51688581) is (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

What is the SMILES notation for (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The canonical SMILES for (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1C[C@H](c2ccc3c(c2)OCO3)c2ncn(-c3cccc(C(F)(F)F)c3)c2N1.

What is the InChIKey of (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The InChIKey is JWQKRXRTYBLRSC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H14F3N3O3/c21-20(22,23)12-2-1-3-13(7-12)26-9-24-18-14(8-17(27)25-19(18)26)11-4-5-15-16(6-11)29-10-28-15/h1-7,9,14H,8,10H2,(H,25,27)/t14-/m1/s1.

What are the key properties of (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

(7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 401.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-7-(1,3-benzodioxol-5-yl)-3-[3-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51688581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).