N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide

C22H22N8O2S — CID 134455319

IUPACN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C)[nH]c12
InChIInChI=1S/C22H22N8O2S/c1-4-33(31,32)30(3)18-10-6-5-9-16(18)27-17-12-20(29-22-21(17)24-14(2)25-22)28-19-11-7-8-15(13-23)26-19/h5-12H,4H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyLESDFBABBASAQF-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.81
Rot. Bonds7

About N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide

N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide (PubChem CID 134455319) has the molecular formula C22H22N8O2S and a molecular weight of 462.54 g/mol. Its IUPAC name is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide
PubChem CID134455319
Molecular FormulaC22H22N8O2S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C)[nH]c12
InChIInChI=1S/C22H22N8O2S/c1-4-33(31,32)30(3)18-10-6-5-9-16(18)27-17-12-20(29-22-21(17)24-14(2)25-22)28-19-11-7-8-15(13-23)26-19/h5-12H,4H2,1-3H3,(H3,24,25,26,27,28,29)
InChIKeyLESDFBABBASAQF-UHFFFAOYSA-N
XLogP3.81
TPSA139.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide with MolForge

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Related Compounds

6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455559
6-[[2-methyl-4-(2-methylsulfinylanilino)-3-oxo-1H-pyrazolo[3,4-b]pyridin-6-yl]amino]pyridine-2-carbonitrile
CID 166647493
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-formylphenyl]-N-methylmethanesulfonamide
CID 134455803
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-[4-[2-(dimethylamino)ethyl]anilino]pyridine-2-carbonitrile
CID 133392490
6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456177
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
CID 114254817
6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(2-oxopyrrolidin-1-yl)pyridine-2-carbonitrile
CID 134456564
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-(difluoromethyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 134456405
6-[[3-iodophosphanyl-2-methyl-7-(2-methylsulfanylanilino)imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 142334196

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?
The IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide (CID 134455319) is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C)[nH]c12.
What is the InChIKey of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?
The InChIKey is LESDFBABBASAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2S/c1-4-33(31,32)30(3)18-10-6-5-9-16(18)27-17-12-20(29-22-21(17)24-14(2)25-22)28-19-11-7-8-15(13-23)26-19/h5-12H,4H2,1-3H3,(H3,24,25,26,27,28,29).
What are the key properties of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide?
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide has a molecular weight of 462.54 g/mol, XLogP of 3.81, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 134455319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).