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

C19H19ClN4O3 — CID 137403343

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

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal (PubChem CID 137403343) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal.

Molecular Properties

• Compound Name: 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
• PubChem CID: 137403343
• Molecular Formula: C19H19ClN4O3
• Molecular Weight: 386.84 g/mol
• Exact Mass: 386.11
• IUPAC Name: 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal
• SMILES: CC(C=O)Oc1nc2nc(-c3ccc(N4CCOCC4)cc3)c(Cl)cc2[nH]1
• InChI: InChI=1S/C19H19ClN4O3/c1-12(11-25)27-19-21-16-10-15(20)17(22-18(16)23-19)13-2-4-14(5-3-13)24-6-8-26-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,21,22,23)
• InChIKey: YOKOYMQLFJHCDP-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.84
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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]propanal?

The IUPAC name of 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal (CID 137403343) is 2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal.

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

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

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

The InChIKey is YOKOYMQLFJHCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-12(11-25)27-19-21-16-10-15(20)17(22-18(16)23-19)13-2-4-14(5-3-13)24-6-8-26-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,21,22,23).

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

2-[[6-chloro-5-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]propanal has a molecular weight of 386.84 g/mol, XLogP of 3.08, 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]propanal is sourced from PubChem (CID 137403343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).