N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide

C27H32ClN7O3S — CID 161310330

About N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide

N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 161310330) has the molecular formula C27H32ClN7O3S and a molecular weight of 570.12 g/mol. Its IUPAC name is N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 161310330
• Molecular Formula: C27H32ClN7O3S
• Molecular Weight: 570.12 g/mol
• Exact Mass: 569.20
• IUPAC Name: N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
• SMILES: Cc1ncc(Cc2cc(Nc3ccc(Cl)cc3N(C)S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc1C
• InChI: InChI=1S/C27H32ClN7O3S/c1-16-17(2)30-21(15-29-16)13-20-14-23(33-22-10-9-19(28)12-24(22)34(4)39(5,36)37)26-27(32-20)35(18(3)31-26)25-8-6-7-11-38-25/h9-10,12,14-15,25H,6-8,11,13H2,1-5H3,(H,32,33)
• InChIKey: ABQZHPMOPFZLSR-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 115.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.12
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)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)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 161310330) is N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)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)methyl]-2-methyl-3-(oxan-2-yl)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)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is Cc1ncc(Cc2cc(Nc3ccc(Cl)cc3N(C)S(C)(=O)=O)c3nc(C)n(C4CCCCO4)c3n2)nc1C.

What is the InChIKey of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?

The InChIKey is ABQZHPMOPFZLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN7O3S/c1-16-17(2)30-21(15-29-16)13-20-14-23(33-22-10-9-19(28)12-24(22)34(4)39(5,36)37)26-27(32-20)35(18(3)31-26)25-8-6-7-11-38-25/h9-10,12,14-15,25H,6-8,11,13H2,1-5H3,(H,32,33).

What are the key properties of N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?

N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 570.12 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 161310330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).