N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C28H31F3N8O5 — CID 157042182

IUPACN-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCOc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(F)(F)F)cn(CCCN4CCOCC4)c3=O)n(C)c12
InChIInChI=1S/C28H31F3N8O5/c1-17(40)34-22-14-19(5-6-32-22)44-21-15-33-25-23(24(21)42-3)37(2)27(36-25)35-20-13-18(28(29,30)31)16-39(26(20)41)8-4-7-38-9-11-43-12-10-38/h5-6,13-16H,4,7-12H2,1-3H3,(H,32,34,40)(H,33,35,36)
InChIKeyJFRRZUBVAXEUQJ-UHFFFAOYSA-N
MW616.60 g/mol
LogP3.77
Rot. Bonds10

About N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042182) has the molecular formula C28H31F3N8O5 and a molecular weight of 616.60 g/mol. Its IUPAC name is N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042182
Molecular FormulaC28H31F3N8O5
Molecular Weight616.60 g/mol
Exact Mass616.24
IUPAC NameN-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCOc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(F)(F)F)cn(CCCN4CCOCC4)c3=O)n(C)c12
InChIInChI=1S/C28H31F3N8O5/c1-17(40)34-22-14-19(5-6-32-22)44-21-15-33-25-23(24(21)42-3)37(2)27(36-25)35-20-13-18(28(29,30)31)16-39(26(20)41)8-4-7-38-9-11-43-12-10-38/h5-6,13-16H,4,7-12H2,1-3H3,(H,32,34,40)(H,33,35,36)
InChIKeyJFRRZUBVAXEUQJ-UHFFFAOYSA-N
XLogP3.77
TPSA137.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.60
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042182) is N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is COc1c(Oc2ccnc(NC(C)=O)c2)cnc2nc(Nc3cc(C(F)(F)F)cn(CCCN4CCOCC4)c3=O)n(C)c12.
What is the InChIKey of N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is JFRRZUBVAXEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N8O5/c1-17(40)34-22-14-19(5-6-32-22)44-21-15-33-25-23(24(21)42-3)37(2)27(36-25)35-20-13-18(28(29,30)31)16-39(26(20)41)8-4-7-38-9-11-43-12-10-38/h5-6,13-16H,4,7-12H2,1-3H3,(H,32,34,40)(H,33,35,36).
What are the key properties of N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?
N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 616.60 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-methoxy-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).