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

C22H20F2N8O2S — CID 134455807

IUPACN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(C(F)F)cc3N(C)S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C22H20F2N8O2S/c1-12-26-20-16(10-19(31-22(20)27-12)30-18-6-4-5-14(11-25)28-18)29-15-8-7-13(21(23)24)9-17(15)32(2)35(3,33)34/h4-10,21H,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyGMTGROYLGGYACW-UHFFFAOYSA-N
MW498.52 g/mol
LogP4.35
Rot. Bonds7

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

N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 134455807) has the molecular formula C22H20F2N8O2S and a molecular weight of 498.52 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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
PubChem CID134455807
Molecular FormulaC22H20F2N8O2S
Molecular Weight498.52 g/mol
Exact Mass498.14
IUPAC NameN-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(C(F)F)cc3N(C)S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C22H20F2N8O2S/c1-12-26-20-16(10-19(31-22(20)27-12)30-18-6-4-5-14(11-25)28-18)29-15-8-7-13(21(23)24)9-17(15)32(2)35(3,33)34/h4-10,21H,1-3H3,(H3,26,27,28,29,30,31)
InChIKeyGMTGROYLGGYACW-UHFFFAOYSA-N
XLogP4.35
TPSA139.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.52
LogP ≤ 54.35
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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide with MolForge

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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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide (CID 134455807) is N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide.
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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide is Cc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(C(F)F)cc3N(C)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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is GMTGROYLGGYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N8O2S/c1-12-26-20-16(10-19(31-22(20)27-12)30-18-6-4-5-14(11-25)28-18)29-15-8-7-13(21(23)24)9-17(15)32(2)35(3,33)34/h4-10,21H,1-3H3,(H3,26,27,28,29,30,31).
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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide?
N-[2-[[5-[(6-cyano-2-pyridinyl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 498.52 g/mol, XLogP of 4.35, 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]-5-(difluoromethyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).