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

C21H24N8O2S — CID 134455630

IUPACN-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCc1cc(Nc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
InChIInChI=1S/C21H24N8O2S/c1-12-10-18(23-13(2)22-12)27-19-11-16(20-21(28-19)25-14(3)24-20)26-15-8-6-7-9-17(15)29(4)32(5,30)31/h6-11H,1-5H3,(H3,22,23,24,25,26,27,28)
InChIKeyVJDNSBPHOYIBIM-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.56
Rot. Bonds6

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

N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134455630) has the molecular formula C21H24N8O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID134455630
Molecular FormulaC21H24N8O2S
Molecular Weight452.54 g/mol
Exact Mass452.17
IUPAC NameN-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCc1cc(Nc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
InChIInChI=1S/C21H24N8O2S/c1-12-10-18(23-13(2)22-12)27-19-11-16(20-21(28-19)25-14(3)24-20)26-15-8-6-7-9-17(15)29(4)32(5,30)31/h6-11H,1-5H3,(H3,22,23,24,25,26,27,28)
InChIKeyVJDNSBPHOYIBIM-UHFFFAOYSA-N
XLogP3.56
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pf-05212377
CID 46203710
N-Methyl-3-(9h-Purin-6-Ylamino)benzenesulfonamide
CID 54675470
4-[(6-ethyl-7~{H}-purin-2-yl)amino]benzenesulfonamide
CID 137643315
N-(2-((4-benzylpiperidin-1-yl)methyl)benzimidazol-5-yl)methanesulfonamide
CID 9822219
2-[(3S)-3-[[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylacetonitrile
CID 58177456
N-[(3S)-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69809726
N-[(3S)-1-(2,2-dimethylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811602
N-[(3S,5S)-5-methyl-1-(2-methylpropylsulfonyl)piperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69811936
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69812740
2-Methyl-6-pentyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10758227
2-((S)-2-Methyl-4-pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 9815072
2-((R)-2-Methyl-4-pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole
CID 9836209

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134455630) is N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is Cc1cc(Nc2cc(Nc3ccccc3N(C)S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1.
What is the InChIKey of N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is VJDNSBPHOYIBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O2S/c1-12-10-18(23-13(2)22-12)27-19-11-16(20-21(28-19)25-14(3)24-20)26-15-8-6-7-9-17(15)29(4)32(5,30)31/h6-11H,1-5H3,(H3,22,23,24,25,26,27,28).
What are the key properties of N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).