(7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C22H21F2N3O3 — CID 51972316

About (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51972316) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
• PubChem CID: 51972316
• Molecular Formula: C22H21F2N3O3
• Molecular Weight: 413.42 g/mol
• Exact Mass: 413.16
• IUPAC Name: (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
• SMILES: COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)ccc2F)c1OC(C)C
• InChI: InChI=1S/C22H21F2N3O3/c1-12(2)30-21-14(5-4-6-18(21)29-3)15-10-19(28)26-22-20(15)25-11-27(22)17-9-13(23)7-8-16(17)24/h4-9,11-12,15H,10H2,1-3H3,(H,26,28)/t15-/m1/s1
• InChIKey: OEFVPCXXSKFKHE-OAHLLOKOSA-N
• XLogP: 4.42
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.42
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The IUPAC name of (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51972316) is (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

What is the SMILES notation for (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The canonical SMILES for (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cccc([C@H]2CC(=O)Nc3c2ncn3-c2cc(F)ccc2F)c1OC(C)C.

What is the InChIKey of (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The InChIKey is OEFVPCXXSKFKHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-12(2)30-21-14(5-4-6-18(21)29-3)15-10-19(28)26-22-20(15)25-11-27(22)17-9-13(23)7-8-16(17)24/h4-9,11-12,15H,10H2,1-3H3,(H,26,28)/t15-/m1/s1.

What are the key properties of (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

(7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 413.42 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(2,5-difluorophenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51972316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).