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

C21H22F2N8O2S — CID 134455570

IUPACN-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCc1ncc(Nc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C
InChIInChI=1S/C21H22F2N8O2S/c1-11-12(2)25-17(10-24-11)27-16-9-14(18-20(28-16)30-21(29-18)19(22)23)26-13-7-5-6-8-15(13)31(3)34(4,32)33/h5-10,19H,1-4H3,(H3,25,26,27,28,29,30)
InChIKeyCENKRWBKCAKMIJ-UHFFFAOYSA-N
MW488.52 g/mol
LogP4.19
Rot. Bonds7

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

N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134455570) has the molecular formula C21H22F2N8O2S and a molecular weight of 488.52 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID134455570
Molecular FormulaC21H22F2N8O2S
Molecular Weight488.52 g/mol
Exact Mass488.16
IUPAC NameN-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCc1ncc(Nc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C
InChIInChI=1S/C21H22F2N8O2S/c1-11-12(2)25-17(10-24-11)27-16-9-14(18-20(28-16)30-21(29-18)19(22)23)26-13-7-5-6-8-15(13)31(3)34(4,32)33/h5-10,19H,1-4H3,(H3,25,26,27,28,29,30)
InChIKeyCENKRWBKCAKMIJ-UHFFFAOYSA-N
XLogP4.19
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-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-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of 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) is N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is Cc1ncc(Nc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C.
What is the InChIKey of N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is CENKRWBKCAKMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N8O2S/c1-11-12(2)25-17(10-24-11)27-16-9-14(18-20(28-16)30-21(29-18)19(22)23)26-13-7-5-6-8-15(13)31(3)34(4,32)33/h5-10,19H,1-4H3,(H3,25,26,27,28,29,30).
What are the key properties of N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 488.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).