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

C21H18F2N8O2S — CID 134455520

IUPACN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-(difluoromethyl)methanesulfonamide
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccccc3N(C(F)F)S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C21H18F2N8O2S/c1-12-25-19-15(28-14-7-3-4-8-16(14)31(21(22)23)34(2,32)33)10-18(30-20(19)26-12)29-17-9-5-6-13(11-24)27-17/h3-10,21H,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyVRTFWQRTKOCASJ-UHFFFAOYSA-N
MW484.49 g/mol
LogP4.01
Rot. Bonds7

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

N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-(difluoromethyl)methanesulfonamide (PubChem CID 134455520) has the molecular formula C21H18F2N8O2S and a molecular weight of 484.49 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-(difluoromethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-(difluoromethyl)methanesulfonamide
PubChem CID134455520
Molecular FormulaC21H18F2N8O2S
Molecular Weight484.49 g/mol
Exact Mass484.12
IUPAC NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-(difluoromethyl)methanesulfonamide
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccccc3N(C(F)F)S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C21H18F2N8O2S/c1-12-25-19-15(28-14-7-3-4-8-16(14)31(21(22)23)34(2,32)33)10-18(30-20(19)26-12)29-17-9-5-6-13(11-24)27-17/h3-10,21H,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyVRTFWQRTKOCASJ-UHFFFAOYSA-N
XLogP4.01
TPSA139.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.49
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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

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Related Compounds

N-[3-[[[2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
CID 71277578
5H-Pyrrolo[2,3-b]pyrazine-7-carbonitrile, 2-[2-[[(3S)-1-(methylsulfonyl)-3-piperidinyl]amino]-3-pyridinyl]-
CID 50997667
N-[(3S,5S)-1-methylsulfonyl-5-(trifluoromethyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811213
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455365
6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455367
N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
CID 134455483
N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 134455570
N-[5-chloro-2-[[5-[(6-cyanopyridin-2-yl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 134455596
2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)pyridin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455608
2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)pyridin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455613
6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455622
N-[2-[[5-[(6-cyanopyridin-2-yl)amino]-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
CID 134455674

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-(difluoromethyl)methanesulfonamide?
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-(difluoromethyl)methanesulfonamide (CID 134455520) is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-(difluoromethyl)methanesulfonamide.
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-(difluoromethyl)methanesulfonamide?
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-(difluoromethyl)methanesulfonamide is Cc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccccc3N(C(F)F)S(C)(=O)=O)c2[nH]1.
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-(difluoromethyl)methanesulfonamide?
The InChIKey is VRTFWQRTKOCASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8O2S/c1-12-25-19-15(28-14-7-3-4-8-16(14)31(21(22)23)34(2,32)33)10-18(30-20(19)26-12)29-17-9-5-6-13(11-24)27-17/h3-10,21H,1-2H3,(H3,25,26,27,28,29,30).
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-(difluoromethyl)methanesulfonamide?
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-(difluoromethyl)methanesulfonamide has a molecular weight of 484.49 g/mol, XLogP of 4.01, 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-(difluoromethyl)methanesulfonamide is sourced from PubChem (CID 134455520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).