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

C25H23F3N8O2S — CID 134456521

IUPAC7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H23F3N8O2S/c1-13-16(12-29-36(13)3)15-8-9-17(19(10-15)39(4,37)38)32-18-11-22(35-24-23(18)30-14(2)31-24)34-21-7-5-6-20(33-21)25(26,27)28/h5-12H,1-4H3,(H3,30,31,32,33,34,35)
InChIKeyDHGJZCUVSUWKJT-UHFFFAOYSA-N
MW556.57 g/mol
LogP5.28
Rot. Bonds6

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

7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456521) has the molecular formula C25H23F3N8O2S and a molecular weight of 556.57 g/mol. Its IUPAC name is 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456521
Molecular FormulaC25H23F3N8O2S
Molecular Weight556.57 g/mol
Exact Mass556.16
IUPAC Name7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H23F3N8O2S/c1-13-16(12-29-36(13)3)15-8-9-17(19(10-15)39(4,37)38)32-18-11-22(35-24-23(18)30-14(2)31-24)34-21-7-5-6-20(33-21)25(26,27)28/h5-12H,1-4H3,(H3,30,31,32,33,34,35)
InChIKeyDHGJZCUVSUWKJT-UHFFFAOYSA-N
XLogP5.28
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.57
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456521) is 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1nc2nc(Nc3cccc(C(F)(F)F)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is DHGJZCUVSUWKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N8O2S/c1-13-16(12-29-36(13)3)15-8-9-17(19(10-15)39(4,37)38)32-18-11-22(35-24-23(18)30-14(2)31-24)34-21-7-5-6-20(33-21)25(26,27)28/h5-12H,1-4H3,(H3,30,31,32,33,34,35).
What are the key properties of 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 556.57 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-5-N-[6-(trifluoromethyl)-2-pyridinyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).