2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C20H17F3N6O2S — CID 134455613

IUPAC2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C20H17F3N6O2S/c1-11-24-18-13(26-12-6-3-4-7-14(12)32(2,30)31)10-17(29-19(18)25-11)28-16-9-5-8-15(27-16)20(21,22)23/h3-10H,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyFSQABGNCQQQKEM-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.57
Rot. Bonds5

About 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455613) has the molecular formula C20H17F3N6O2S and a molecular weight of 462.46 g/mol. Its IUPAC name is 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455613
Molecular FormulaC20H17F3N6O2S
Molecular Weight462.46 g/mol
Exact Mass462.11
IUPAC Name2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C20H17F3N6O2S/c1-11-24-18-13(26-12-6-3-4-7-14(12)32(2,30)31)10-17(29-19(18)25-11)28-16-9-5-8-15(27-16)20(21,22)23/h3-10H,1-2H3,(H3,24,25,26,27,28,29)
InChIKeyFSQABGNCQQQKEM-UHFFFAOYSA-N
XLogP4.57
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455613) is 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is FSQABGNCQQQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2S/c1-11-24-18-13(26-12-6-3-4-7-14(12)32(2,30)31)10-17(29-19(18)25-11)28-16-9-5-8-15(27-16)20(21,22)23/h3-10H,1-2H3,(H3,24,25,26,27,28,29).
What are the key properties of 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 462.46 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).