6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile

C26H24F3N9O3 — CID 164560397

About 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile

6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile (PubChem CID 164560397) has the molecular formula C26H24F3N9O3 and a molecular weight of 567.53 g/mol. Its IUPAC name is 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile.

Molecular Properties

• Compound Name: 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
• PubChem CID: 164560397
• Molecular Formula: C26H24F3N9O3
• Molecular Weight: 567.53 g/mol
• Exact Mass: 567.20
• IUPAC Name: 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
• SMILES: Cn1cc(C(F)(F)F)cc(Nc2nc3ncc(OC(=CN)c4cc(N5CCOCC5)ccn4)c(C#N)c3n2C)c1=O
• InChI: InChI=1S/C26H24F3N9O3/c1-36-14-15(26(27,28)29)9-19(24(36)39)34-25-35-23-22(37(25)2)17(11-30)21(13-33-23)41-20(12-31)18-10-16(3-4-32-18)38-5-7-40-8-6-38/h3-4,9-10,12-14H,5-8,31H2,1-2H3,(H,33,34,35)
• InChIKey: RZJMQCILWNXSMF-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 149.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.53
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

The IUPAC name of 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile (CID 164560397) is 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile.

What is the SMILES notation for 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

The canonical SMILES for 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile is Cn1cc(C(F)(F)F)cc(Nc2nc3ncc(OC(=CN)c4cc(N5CCOCC5)ccn4)c(C#N)c3n2C)c1=O.

What is the InChIKey of 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

The InChIKey is RZJMQCILWNXSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N9O3/c1-36-14-15(26(27,28)29)9-19(24(36)39)34-25-35-23-22(37(25)2)17(11-30)21(13-33-23)41-20(12-31)18-10-16(3-4-32-18)38-5-7-40-8-6-38/h3-4,9-10,12-14H,5-8,31H2,1-2H3,(H,33,34,35).

What are the key properties of 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?

6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile has a molecular weight of 567.53 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile is sourced from PubChem (CID 164560397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).