5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C18H18N4O4S2 — CID 131888956

IUPAC5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3[nH]cnc3C2c2cccnc2)cc1
InChIInChI=1S/C18H18N4O4S2/c1-27(23,24)14-4-6-15(7-5-14)28(25,26)22-10-8-16-17(21-12-20-16)18(22)13-3-2-9-19-11-13/h2-7,9,11-12,18H,8,10H2,1H3,(H,20,21)
InChIKeyPMLFTRXNGLMZQC-UHFFFAOYSA-N
MW418.50 g/mol
LogP1.54
Rot. Bonds4

About 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 131888956) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID131888956
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3[nH]cnc3C2c2cccnc2)cc1
InChIInChI=1S/C18H18N4O4S2/c1-27(23,24)14-4-6-15(7-5-14)28(25,26)22-10-8-16-17(21-12-20-16)18(22)13-3-2-9-19-11-13/h2-7,9,11-12,18H,8,10H2,1H3,(H,20,21)
InChIKeyPMLFTRXNGLMZQC-UHFFFAOYSA-N
XLogP1.54
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine with MolForge

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Related Compounds

5-[(2-ethylphenyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56720073
(2R)-2-methoxy-2-phenyl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012296
methyl 2-[(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)amino]propanoate
CID 45370927
5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 50968286
(4R)-5-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95203763
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 131895282
2-(5-methylpyrazol-1-yl)-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 136573149
2-morpholin-4-yl-1-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 138012291
(3,5-dimethyl-1-benzofuran-2-yl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 70762419
5-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 134695544
(2-propyl-4-pyridinyl)-(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 50966520
1-[4-[(4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]thiophen-2-yl]ethanone
CID 77084224

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 131888956) is 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3[nH]cnc3C2c2cccnc2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is PMLFTRXNGLMZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-27(23,24)14-4-6-15(7-5-14)28(25,26)22-10-8-16-17(21-12-20-16)18(22)13-3-2-9-19-11-13/h2-7,9,11-12,18H,8,10H2,1H3,(H,20,21).
What are the key properties of 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 418.50 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)sulfonyl-4-pyridin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 131888956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).