N-[4-[7-chloro-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

C27H28ClF3N8O4 — CID 157042246

IUPACN-[4-[7-chloro-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
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(CCCN5CCOCC5)c4=O)n(C)c3c2Cl)ccn1
InChIInChI=1S/C27H28ClF3N8O4/c1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36)
InChIKeyMDAMVACAXDKPTE-UHFFFAOYSA-N
MW621.02 g/mol
LogP4.41
Rot. Bonds9

About N-[4-[7-chloro-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-chloro-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 157042246) has the molecular formula C27H28ClF3N8O4 and a molecular weight of 621.02 g/mol. Its IUPAC name is N-[4-[7-chloro-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-chloro-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 CID157042246
Molecular FormulaC27H28ClF3N8O4
Molecular Weight621.02 g/mol
Exact Mass620.19
IUPAC NameN-[4-[7-chloro-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
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(CCCN5CCOCC5)c4=O)n(C)c3c2Cl)ccn1
InChIInChI=1S/C27H28ClF3N8O4/c1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36)
InChIKeyMDAMVACAXDKPTE-UHFFFAOYSA-N
XLogP4.41
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.02
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[4-[7-chloro-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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Launch Full Analysis

Related Compounds

N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 170122225
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-hydroxyacetamide
CID 168774439
N-[4-[2-[[1-(2-hydroxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774417
2-(dimethylamino)ethyl N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]carbamate
CID 168774520
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide
CID 168774302
N-[4-[2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 167272640
N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 157042284
1-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
CID 167596490
3-[[6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-7-chloro-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(2-phenylmethoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 174018714
3-[[7-chloro-6-(6-fluoropyrazolo[1,5-a]pyridin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-(2-hydroxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 164558969
N-[4-[7-chloro-2-[[5-(1,1-difluoroethyl)-1-(3-methoxycyclobutyl)pyrazol-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 170109675
CID 174069163
CID 174069163

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-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-chloro-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 157042246) is N-[4-[7-chloro-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-chloro-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-chloro-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 CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(CCCN5CCOCC5)c4=O)n(C)c3c2Cl)ccn1.
What is the InChIKey of N-[4-[7-chloro-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 MDAMVACAXDKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClF3N8O4/c1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38/h4-5,12-15H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36).
What are the key properties of N-[4-[7-chloro-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-chloro-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 621.02 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-chloro-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 157042246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).