2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine

C18H23N5O2S — CID 141082358

IUPAC2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine
SMILESCc1ncc2nc(C)n(CCCCCS(=O)(=O)c3ncccn3)c2c1C
InChIInChI=1S/C18H23N5O2S/c1-13-14(2)21-12-16-17(13)23(15(3)22-16)10-5-4-6-11-26(24,25)18-19-8-7-9-20-18/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyCNLDXTQXNVHMDB-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.79
Rot. Bonds7

About 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine

2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine (PubChem CID 141082358) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine
PubChem CID141082358
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine
SMILESCc1ncc2nc(C)n(CCCCCS(=O)(=O)c3ncccn3)c2c1C
InChIInChI=1S/C18H23N5O2S/c1-13-14(2)21-12-16-17(13)23(15(3)22-16)10-5-4-6-11-26(24,25)18-19-8-7-9-20-18/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyCNLDXTQXNVHMDB-UHFFFAOYSA-N
XLogP2.79
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[5-(benzenesulfinyl)pentyl]-2,6,7-trimethylimidazo[4,5-c]pyridine
CID 141082298
1-[3-(4-chlorophenyl)sulfonylpropyl]-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082387
2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320512
6,7-dimethyl-1-(5-phenylsulfanylpentyl)-2-propylimidazo[4,5-c]pyridine
CID 141082503
1-(4-butylsulfanylbutyl)-6,7-dimethyl-2-propylimidazo[4,5-c]pyridine
CID 141082376
2-[3-(5-methylpyrimidin-2-yl)sulfonylpropyl]-1,3-benzoxazole
CID 75515573
1-[5-(benzenesulfinyl)pentyl]-2,7-dimethylimidazo[4,5-c]pyridine
CID 141082510
1-(3-ethylsulfonylpropyl)-2-methylbenzimidazole
CID 79762327
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
11-(3,8-dimethyl-2,6-dioxopurin-7-yl)undecane-1-sulfonic acid
CID 164781911
5-(4-amino-6,7-dimethylimidazo[4,5-c]pyridin-1-yl)-N-pyrimidin-2-ylpentane-1-sulfonamide
CID 69211354
2-methyl-1-(5-methylsulfanylpentyl)-8-phenylmethoxyimidazo[4,5-c]quinoline
CID 67051125

Frequently Asked Questions

What is the IUPAC name of 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine (CID 141082358) is 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine is Cc1ncc2nc(C)n(CCCCCS(=O)(=O)c3ncccn3)c2c1C.
What is the InChIKey of 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine?
The InChIKey is CNLDXTQXNVHMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-13-14(2)21-12-16-17(13)23(15(3)22-16)10-5-4-6-11-26(24,25)18-19-8-7-9-20-18/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine?
2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine has a molecular weight of 373.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-1-(5-pyrimidin-2-ylsulfonylpentyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 141082358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).