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

C23H25N3O4 — CID 51720291

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

(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 51720291) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is (7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

• Compound Name: (7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
• PubChem CID: 51720291
• Molecular Formula: C23H25N3O4
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.18
• IUPAC Name: (7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
• SMILES: COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1
• InChI: InChI=1S/C23H25N3O4/c1-14(2)30-22-17(6-5-7-19(22)29-4)18-12-20(27)25-23-21(18)24-13-26(23)15-8-10-16(28-3)11-9-15/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)/t18-/m1/s1
• InChIKey: SDYOJNVDZMDDPO-GOSISDBHSA-N
• XLogP: 4.15
• TPSA: 74.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 51720291) is (7R)-3-(4-methoxyphenyl)-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-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?

The canonical SMILES for (7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2cccc(OC)c2OC(C)C)cc1.

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

The InChIKey is SDYOJNVDZMDDPO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14(2)30-22-17(6-5-7-19(22)29-4)18-12-20(27)25-23-21(18)24-13-26(23)15-8-10-16(28-3)11-9-15/h5-11,13-14,18H,12H2,1-4H3,(H,25,27)/t18-/m1/s1.

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

(7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 407.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-3-(4-methoxyphenyl)-7-(3-methoxy-2-propan-2-yloxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 51720291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).