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

C21H20F3N7O2S — CID 134455483

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

N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide (PubChem CID 134455483) has the molecular formula C21H20F3N7O2S and a molecular weight of 491.50 g/mol. Its IUPAC name is N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
• PubChem CID: 134455483
• Molecular Formula: C21H20F3N7O2S
• Molecular Weight: 491.50 g/mol
• Exact Mass: 491.14
• IUPAC Name: N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
• SMILES: Cc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccccc3N(C)S(C)(=O)=O)c2[nH]1
• InChI: InChI=1S/C21H20F3N7O2S/c1-12-25-19-14(27-13-7-4-5-8-15(13)31(2)34(3,32)33)11-18(30-20(19)26-12)29-17-10-6-9-16(28-17)21(22,23)24/h4-11H,1-3H3,(H3,25,26,27,28,29,30)
• InChIKey: YWGMCQXXJYKCOE-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.50
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide?

The IUPAC name of N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide (CID 134455483) is N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide.

What is the SMILES notation for N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide?

The canonical SMILES for N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide is Cc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccccc3N(C)S(C)(=O)=O)c2[nH]1.

What is the InChIKey of N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide?

The InChIKey is YWGMCQXXJYKCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7O2S/c1-12-25-19-14(27-13-7-4-5-8-15(13)31(2)34(3,32)33)11-18(30-20(19)26-12)29-17-10-6-9-16(28-17)21(22,23)24/h4-11H,1-3H3,(H3,25,26,27,28,29,30).

What are the key properties of N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide?

N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide has a molecular weight of 491.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide is sourced from PubChem (CID 134455483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).