2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine

C17H17N7O2S — CID 129130472

IUPAC2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C)cnc2n1C
InChIInChI=1S/C17H17N7O2S/c1-4-27(25,26)13-5-6-14(24-10-18-9-20-24)22-15(13)17-21-12-7-11(2)8-19-16(12)23(17)3/h5-10H,4H2,1-3H3
InChIKeyBWOSTJANKMSFTA-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.71
Rot. Bonds4

About 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine

2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine (PubChem CID 129130472) has the molecular formula C17H17N7O2S and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
PubChem CID129130472
Molecular FormulaC17H17N7O2S
Molecular Weight383.44 g/mol
Exact Mass383.12
IUPAC Name2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine
SMILESCCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C)cnc2n1C
InChIInChI=1S/C17H17N7O2S/c1-4-27(25,26)13-5-6-14(24-10-18-9-20-24)22-15(13)17-21-12-7-11(2)8-19-16(12)23(17)3/h5-10H,4H2,1-3H3
InChIKeyBWOSTJANKMSFTA-UHFFFAOYSA-N
XLogP1.71
TPSA108.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine with MolForge

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Related Compounds

1-[6-(3,6-dimethylimidazo[4,5-b]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-1,2,4-triazol-3-amine
CID 129130482
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethylsulfonyl)benzimidazole
CID 118616781
1-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-1,2,4-triazol-3-amine
CID 129140353
2-[6-(3-bromo-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140360
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
2-[3-ethylsulfonyl-5-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134521194
2-[6-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3,6-dimethyl-4-oxidoimidazo[4,5-b]pyridin-4-ium
CID 129130497
2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 158048184
3-ethylsulfonyl-2-(2,2,3,3,3-pentafluoropropyl)-6-(1,2,4-triazol-1-yl)pyridine
CID 175205999
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806
2-[3-ethylsulfonyl-1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,6-dimethylimidazo[4,5-b]pyridine
CID 90275849
2-chloro-5-[1-[5-ethylsulfonyl-6-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]-5-oxo-1,2,4-triazol-4-yl]benzonitrile
CID 166125324

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine (CID 129130472) is 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine is CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(C)cnc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine?
The InChIKey is BWOSTJANKMSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2S/c1-4-27(25,26)13-5-6-14(24-10-18-9-20-24)22-15(13)17-21-12-7-11(2)8-19-16(12)23(17)3/h5-10H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine?
2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine has a molecular weight of 383.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3,6-dimethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 129130472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).