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

C25H24F2N8O2S2 — CID 134455469

IUPAC2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4nc(C)c(C)s4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1
InChIInChI=1S/C25H24F2N8O2S2/c1-11-8-19(30-14(4)28-11)32-20-10-17(21-23(33-20)35-24(34-21)22(26)27)31-16-7-6-15(9-18(16)39(5,36)37)25-29-12(2)13(3)38-25/h6-10,22H,1-5H3,(H3,28,30,31,32,33,34,35)
InChIKeyWCBDISSTVTUGLE-UHFFFAOYSA-N
MW570.65 g/mol
LogP5.93
Rot. Bonds7

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

2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455469) 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-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455469
Molecular FormulaC25H24F2N8O2S2
Molecular Weight570.65 g/mol
Exact Mass570.14
IUPAC Name2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4nc(C)c(C)s4)cc3S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc(C)n1
InChIInChI=1S/C25H24F2N8O2S2/c1-11-8-19(30-14(4)28-11)32-20-10-17(21-23(33-20)35-24(34-21)22(26)27)31-16-7-6-15(9-18(16)39(5,36)37)25-29-12(2)13(3)38-25/h6-10,22H,1-5H3,(H3,28,30,31,32,33,34,35)
InChIKeyWCBDISSTVTUGLE-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

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

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Related Compounds

N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-1,3-thiazole-2-sulfonamide
CID 127045769
N2-(2-(methylsulfonyl)phenyl)-N7-(4-(trifluoromethyl)phenyl)thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 44569641
N-[[4-(1,3-benzothiazol-6-yl)-5-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-yl]methyl]propane-1-sulfonamide
CID 136105756
2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455326
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-methylpyridine-2-carbonitrile
CID 134455411
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(5-methyl-1,3-thiazol-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455415
2-(difluoromethyl)-7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455452
2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-(4-fluoro-2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455454
2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[2-methylsulfonyl-4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455464
2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455515
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455523
7-N-[4-(1-cyclopropylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455600

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455469) is 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(Nc2cc(Nc3ccc(-c4nc(C)c(C)s4)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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is WCBDISSTVTUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N8O2S2/c1-11-8-19(30-14(4)28-11)32-20-10-17(21-23(33-20)35-24(34-21)22(26)27)31-16-7-6-15(9-18(16)39(5,36)37)25-29-12(2)13(3)38-25/h6-10,22H,1-5H3,(H3,28,30,31,32,33,34,35).
What are the key properties of 2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine?
2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).