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

C22H20N8O3 — CID 167639688

IUPACN-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C)cn(C)c4=O)n(C)c3c2C#N)ccn1
InChIInChI=1S/C22H20N8O3/c1-12-7-16(21(32)29(3)11-12)27-22-28-20-19(30(22)4)15(9-23)17(10-25-20)33-14-5-6-24-18(8-14)26-13(2)31/h5-8,10-11H,1-4H3,(H,24,26,31)(H,25,27,28)
InChIKeyXZINJXLHHQBLBY-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.74
Rot. Bonds5

About 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

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 (PubChem CID 167639688) has the molecular formula C22H20N8O3 and a molecular weight of 444.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID167639688
Molecular FormulaC22H20N8O3
Molecular Weight444.46 g/mol
Exact Mass444.17
IUPAC NameN-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C)cn(C)c4=O)n(C)c3c2C#N)ccn1
InChIInChI=1S/C22H20N8O3/c1-12-7-16(21(32)29(3)11-12)27-22-28-20-19(30(22)4)15(9-23)17(10-25-20)33-14-5-6-24-18(8-14)26-13(2)31/h5-8,10-11H,1-4H3,(H,24,26,31)(H,25,27,28)
InChIKeyXZINJXLHHQBLBY-UHFFFAOYSA-N
XLogP2.74
TPSA139.75 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

CID 174069163
CID 174069163
N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774314
N-[4-[7-cyano-1-methyl-2-[4-(1-methylpyrrolidin-2-yl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774351
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
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-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 168774382
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
(3R)-N-[4-[7-cyano-2-[(4,4-difluoro-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-2-yl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 168774464
6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
CID 164560227
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C)cn(C)c4=O)n(C)c3c2C#N)ccn1.
What is the InChIKey of 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?
The InChIKey is XZINJXLHHQBLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O3/c1-12-7-16(21(32)29(3)11-12)27-22-28-20-19(30(22)4)15(9-23)17(10-25-20)33-14-5-6-24-18(8-14)26-13(2)31/h5-8,10-11H,1-4H3,(H,24,26,31)(H,25,27,28).
What are the key properties of 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?
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 has a molecular weight of 444.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167639688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).