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

C21H17ClF3N7O4 — CID 168774439

IUPACN-[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
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)CO)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C21H17ClF3N7O4/c1-31-8-10(21(23,24)25)5-12(19(31)35)28-20-30-18-17(32(20)2)16(22)13(7-27-18)36-11-3-4-26-14(6-11)29-15(34)9-33/h3-8,33H,9H2,1-2H3,(H,26,29,34)(H,27,28,30)
InChIKeyDEQZYAFILFNLSB-UHFFFAOYSA-N
MW523.86 g/mol
LogP3.20
Rot. Bonds6

About 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

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 (PubChem CID 168774439) has the molecular formula C21H17ClF3N7O4 and a molecular weight of 523.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID168774439
Molecular FormulaC21H17ClF3N7O4
Molecular Weight523.86 g/mol
Exact Mass523.10
IUPAC NameN-[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
SMILESCn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)CO)c4)c(Cl)c3n2C)c1=O
InChIInChI=1S/C21H17ClF3N7O4/c1-31-8-10(21(23,24)25)5-12(19(31)35)28-20-30-18-17(32(20)2)16(22)13(7-27-18)36-11-3-4-26-14(6-11)29-15(34)9-33/h3-8,33H,9H2,1-2H3,(H,26,29,34)(H,27,28,30)
InChIKeyDEQZYAFILFNLSB-UHFFFAOYSA-N
XLogP3.20
TPSA136.19 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.86
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 157042246
CID 174069163
CID 174069163
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
3-[[7-chloro-6-[(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-methyl-5-(trifluoromethyl)pyridin-2-one
CID 164559592
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
N-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 167639688
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]-2-(2-methoxyethylamino)acetamide
CID 168880172
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
3-[[7-chloro-6-(4-chloropyrazolo[1,5-a]pyrazin-3-yl)oxy-1-methylimidazo[4,5-b]pyridin-2-yl]amino]-1-pyridin-3-yl-5-(trifluoromethyl)pyridin-2-one
CID 164558772

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc(C(F)(F)F)cc(Nc2nc3ncc(Oc4ccnc(NC(=O)CO)c4)c(Cl)c3n2C)c1=O.
What is the InChIKey of 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?
The InChIKey is DEQZYAFILFNLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N7O4/c1-31-8-10(21(23,24)25)5-12(19(31)35)28-20-30-18-17(32(20)2)16(22)13(7-27-18)36-11-3-4-26-14(6-11)29-15(34)9-33/h3-8,33H,9H2,1-2H3,(H,26,29,34)(H,27,28,30).
What are the key properties of 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?
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 has a molecular weight of 523.86 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 168774439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).