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

C21H18F5N7O2S — CID 134456366

IUPACN-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Nc2cccc(C(F)(F)F)n2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O
InChIInChI=1S/C21H18F5N7O2S/c1-33(36(2,34)35)13-7-4-3-6-11(13)27-12-10-16(30-19-17(12)31-20(32-19)18(22)23)29-15-9-5-8-14(28-15)21(24,25)26/h3-10,18H,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyODEKREXHTQYLHN-UHFFFAOYSA-N
MW527.48 g/mol
LogP5.19
Rot. Bonds7

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

N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134456366) has the molecular formula C21H18F5N7O2S and a molecular weight of 527.48 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
PubChem CID134456366
Molecular FormulaC21H18F5N7O2S
Molecular Weight527.48 g/mol
Exact Mass527.12
IUPAC NameN-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
SMILESCN(c1ccccc1Nc1cc(Nc2cccc(C(F)(F)F)n2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O
InChIInChI=1S/C21H18F5N7O2S/c1-33(36(2,34)35)13-7-4-3-6-11(13)27-12-10-16(30-19-17(12)31-20(32-19)18(22)23)29-15-9-5-8-14(28-15)21(24,25)26/h3-10,18H,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyODEKREXHTQYLHN-UHFFFAOYSA-N
XLogP5.19
TPSA115.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.48
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-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

N-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)pyridin-2-amine
CID 69812740
6-[2-[[3-(Dimethylsulfamoylamino)-2,6-Bis(Fluoranyl)phenyl]amino]pyridin-3-Yl]-7~{h}-Purine
CID 118988423
2-[4-(6-Methyl-pyridin-2-yl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 9879627
4-(1H-benzo[d]imidazol-1-yl)-N-(1-(1-methyl-4-(methylsulfonyl)piperazin-2-yl)ethyl)pyrimidin-2-amine
CID 20703632
N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]propane-2-sulfonamide
CID 57344791
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)propan-1-sulfonamide
CID 57344795
CID 58395286
CID 58395286
N-[3-[[[2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
CID 71277572
N-[3-[[[2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]methyl]pyridin-2-yl]-N-methylmethanesulfonamide
CID 71277578
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)methanesulfonamide
CID 71570573
N-(3-(3-(9H-purin-6-yl)pyridin-2-ylamino)-2,4-difluorophenyl)-2,2,2-trifluoroethanesulfonamide
CID 71570722
1-methylsulfonyl-N-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-pyridinyl]azepan-3-amine
CID 50996583

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134456366) is N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is CN(c1ccccc1Nc1cc(Nc2cccc(C(F)(F)F)n2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O.
What is the InChIKey of N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is ODEKREXHTQYLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N7O2S/c1-33(36(2,34)35)13-7-4-3-6-11(13)27-12-10-16(30-19-17(12)31-20(32-19)18(22)23)29-15-9-5-8-14(28-15)21(24,25)26/h3-10,18H,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide?
N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 527.48 g/mol, XLogP of 5.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(difluoromethyl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134456366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).