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

C21H23ClN8O2S — CID 134455486

IUPACN-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(Cl)cc3N(C)S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C21H23ClN8O2S/c1-11-12(2)24-19(10-23-11)28-18-9-16(20-21(29-18)26-13(3)25-20)27-15-7-6-14(22)8-17(15)30(4)33(5,31)32/h6-10H,1-5H3,(H3,24,25,26,27,28,29)
InChIKeyXFSMFCCXPJXWCK-UHFFFAOYSA-N
MW486.99 g/mol
LogP4.21
Rot. Bonds6

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

N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134455486) has the molecular formula C21H23ClN8O2S and a molecular weight of 486.99 g/mol. Its IUPAC name is N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID134455486
Molecular FormulaC21H23ClN8O2S
Molecular Weight486.99 g/mol
Exact Mass486.14
IUPAC NameN-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(Cl)cc3N(C)S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C21H23ClN8O2S/c1-11-12(2)24-19(10-23-11)28-18-9-16(20-21(29-18)26-13(3)25-20)27-15-7-6-14(22)8-17(15)30(4)33(5,31)32/h6-10H,1-5H3,(H3,24,25,26,27,28,29)
InChIKeyXFSMFCCXPJXWCK-UHFFFAOYSA-N
XLogP4.21
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.99
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134455486) is N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is Cc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(Cl)cc3N(C)S(C)(=O)=O)c2[nH]1.
What is the InChIKey of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is XFSMFCCXPJXWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN8O2S/c1-11-12(2)24-19(10-23-11)28-18-9-16(20-21(29-18)26-13(3)25-20)27-15-7-6-14(22)8-17(15)30(4)33(5,31)32/h6-10H,1-5H3,(H3,24,25,26,27,28,29).
What are the key properties of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 486.99 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).