2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one

C24H26ClF2N5O3 — CID 90160357

About 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one (PubChem CID 90160357) has the molecular formula C24H26ClF2N5O3 and a molecular weight of 505.95 g/mol. Its IUPAC name is 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one
• PubChem CID: 90160357
• Molecular Formula: C24H26ClF2N5O3
• Molecular Weight: 505.95 g/mol
• Exact Mass: 505.17
• IUPAC Name: 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one
• SMILES: CC(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)C(=O)N1CCC(F)(F)CC1
• InChI: InChI=1S/C24H26ClF2N5O3/c1-15(22(33)32-8-6-24(26,27)7-9-32)35-23-28-19-14-18(25)20(29-21(19)30-23)16-2-4-17(5-3-16)31-10-12-34-13-11-31/h2-5,14-15H,6-13H2,1H3,(H,28,29,30)
• InChIKey: CORYMQRPYBKCFB-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 83.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.95
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one?

The IUPAC name of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one (CID 90160357) is 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one.

What is the SMILES notation for 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one?

The canonical SMILES for 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one is CC(Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1)C(=O)N1CCC(F)(F)CC1.

What is the InChIKey of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one?

The InChIKey is CORYMQRPYBKCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF2N5O3/c1-15(22(33)32-8-6-24(26,27)7-9-32)35-23-28-19-14-18(25)20(29-21(19)30-23)16-2-4-17(5-3-16)31-10-12-34-13-11-31/h2-5,14-15H,6-13H2,1H3,(H,28,29,30).

What are the key properties of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one?

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one has a molecular weight of 505.95 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-1-(4,4-difluoropiperidin-1-yl)propan-1-one is sourced from PubChem (CID 90160357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).