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

C24H20F3N9O2 — CID 164560165

IUPAC6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
SMILES[H]/N=C(/c1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2C#N)cnc1N)C1CC1
InChIInChI=1S/C24H20F3N9O2/c1-35-10-12(24(25,26)27)5-16(22(35)37)33-23-34-21-19(36(23)2)15(7-28)17(9-32-21)38-13-6-14(20(30)31-8-13)18(29)11-3-4-11/h5-6,8-11,29H,3-4H2,1-2H3,(H2,30,31)(H,32,33,34)/b29-18+
InChIKeyJTTRSDATNGRPHX-RDRPBHBLSA-N
MW523.48 g/mol
LogP3.85
Rot. Bonds6

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

6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile (PubChem CID 164560165) has the molecular formula C24H20F3N9O2 and a molecular weight of 523.48 g/mol. Its IUPAC name is 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile.

Molecular Properties

Compound Name6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
PubChem CID164560165
Molecular FormulaC24H20F3N9O2
Molecular Weight523.48 g/mol
Exact Mass523.17
IUPAC Name6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
SMILES[H]/N=C(/c1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2C#N)cnc1N)C1CC1
InChIInChI=1S/C24H20F3N9O2/c1-35-10-12(24(25,26)27)5-16(22(35)37)33-23-34-21-19(36(23)2)15(7-28)17(9-32-21)38-13-6-14(20(30)31-8-13)18(29)11-3-4-11/h5-6,8-11,29H,3-4H2,1-2H3,(H2,30,31)(H,32,33,34)/b29-18+
InChIKeyJTTRSDATNGRPHX-RDRPBHBLSA-N
XLogP3.85
TPSA160.52 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.48
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?
The IUPAC name of 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile (CID 164560165) is 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-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-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?
The canonical SMILES for 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile is [H]/N=C(/c1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2C#N)cnc1N)C1CC1.
What is the InChIKey of 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?
The InChIKey is JTTRSDATNGRPHX-RDRPBHBLSA-N. The full InChI is InChI=1S/C24H20F3N9O2/c1-35-10-12(24(25,26)27)5-16(22(35)37)33-23-34-21-19(36(23)2)15(7-28)17(9-32-21)38-13-6-14(20(30)31-8-13)18(29)11-3-4-11/h5-6,8-11,29H,3-4H2,1-2H3,(H2,30,31)(H,32,33,34)/b29-18+.
What are the key properties of 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile?
6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile has a molecular weight of 523.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile is sourced from PubChem (CID 164560165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).