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

C25H26N8O2S2 — CID 134456383

IUPAC5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
InChIInChI=1S/C25H26N8O2S2/c1-12-9-21(27-14(3)26-12)32-22-11-19(24-25(33-22)29-15(4)28-24)31-18-8-7-17(10-20(18)37(6,34)35)23-13(2)36-16(5)30-23/h7-11H,1-6H3,(H3,26,27,28,29,31,32,33)
InChIKeyTZZOQOUZROCLJE-UHFFFAOYSA-N
MW534.67 g/mol
LogP5.30
Rot. Bonds6

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

5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134456383) has the molecular formula C25H26N8O2S2 and a molecular weight of 534.67 g/mol. Its IUPAC name is 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134456383
Molecular FormulaC25H26N8O2S2
Molecular Weight534.67 g/mol
Exact Mass534.16
IUPAC Name5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1cc(Nc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1
InChIInChI=1S/C25H26N8O2S2/c1-12-9-21(27-14(3)26-12)32-22-11-19(24-25(33-22)29-15(4)28-24)31-18-8-7-17(10-20(18)37(6,34)35)23-13(2)36-16(5)30-23/h7-11H,1-6H3,(H3,26,27,28,29,31,32,33)
InChIKeyTZZOQOUZROCLJE-UHFFFAOYSA-N
XLogP5.30
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.67
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Related Compounds

6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455559
N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456677
5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134474700
7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456075
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(1,4,5-trimethylpyrazol-3-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456409
N-[2-methyl-7-[4-(3-methylimidazol-4-yl)-2-[methyl(methylsulfonyl)amino]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455410
cis-(1R,2R)-N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 134455293
2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134455991
6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456177
cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
CID 134455944
trans-(1R,2S)-2-fluoro-N-[2-methyl-7-[2-[methyl(methylsulfonyl)amino]-4-(1-methylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
CID 134456137

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134456383) is 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1cc(Nc2cc(Nc3ccc(-c4nc(C)sc4C)cc3S(C)(=O)=O)c3[nH]c(C)nc3n2)nc(C)n1.
What is the InChIKey of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is TZZOQOUZROCLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2S2/c1-12-9-21(27-14(3)26-12)32-22-11-19(24-25(33-22)29-15(4)28-24)31-18-8-7-17(10-20(18)37(6,34)35)23-13(2)36-16(5)30-23/h7-11H,1-6H3,(H3,26,27,28,29,31,32,33).
What are the key properties of 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 534.67 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134456383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).