2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H24F2N8O2S2 — CID 134456006

IUPAC2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1
InChIInChI=1S/C25H24F2N8O2S2/c1-11-8-19(29-13(3)28-11)32-20-10-17(22-24(33-20)35-25(34-22)23(26)27)31-16-7-6-15(9-18(16)39(5,36)37)21-12(2)38-14(4)30-21/h6-10,23H,1-5H3,(H3,28,29,31,32,33,34,35)
InChIKeyKZRGMGQMENICPD-UHFFFAOYSA-N
MW570.65 g/mol
LogP5.93
Rot. Bonds7

About 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine

2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456006) has the molecular formula C25H24F2N8O2S2 and a molecular weight of 570.65 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456006
Molecular FormulaC25H24F2N8O2S2
Molecular Weight570.65 g/mol
Exact Mass570.14
IUPAC Name2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1
InChIInChI=1S/C25H24F2N8O2S2/c1-11-8-19(29-13(3)28-11)32-20-10-17(22-24(33-20)35-25(34-22)23(26)27)31-16-7-6-15(9-18(16)39(5,36)37)21-12(2)38-14(4)30-21/h6-10,23H,1-5H3,(H3,28,29,31,32,33,34,35)
InChIKeyKZRGMGQMENICPD-UHFFFAOYSA-N
XLogP5.93
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456006) is 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(Nc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1.
What is the InChIKey of 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is KZRGMGQMENICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O2S2/c1-11-8-19(29-13(3)28-11)32-20-10-17(22-24(33-20)35-25(34-22)23(26)27)31-16-7-6-15(9-18(16)39(5,36)37)21-12(2)38-14(4)30-21/h6-10,23H,1-5H3,(H3,28,29,31,32,33,34,35).
What are the key properties of 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 570.65 g/mol, XLogP of 5.93, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).