2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine

C18H20N4O2S — CID 163697092

IUPAC2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C18H20N4O2S/c1-4-25(23,24)16-8-13(12-5-6-12)9-20-17(16)18-21-14-7-11(2)19-10-15(14)22(18)3/h7-10,12H,4-6H2,1-3H3
InChIKeyJXVJOXHAEWPIKQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.01
Rot. Bonds4

About 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine

2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine (PubChem CID 163697092) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
PubChem CID163697092
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C18H20N4O2S/c1-4-25(23,24)16-8-13(12-5-6-12)9-20-17(16)18-21-14-7-11(2)19-10-15(14)22(18)3/h7-10,12H,4-6H2,1-3H3
InChIKeyJXVJOXHAEWPIKQ-UHFFFAOYSA-N
XLogP3.01
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine
CID 168890738
N-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]methanesulfonamide
CID 134167191
[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]oxymethyl-trimethylsilane
CID 148534407
1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea
CID 158261625
cyclopropyl-[[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]imino]-methyl-oxo-λ6-sulfane
CID 146208759
2-[5-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-cyclopropyl-3-ethylsulfonylpyridine
CID 166728806
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
2-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-3-ethylsulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 161002267
2-[4-(4-chlorophenyl)-2-ethylsulfonylphenyl]-3,6-dimethylimidazo[4,5-c]pyridine
CID 129193248
6-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-3-(1,1-difluoroethyl)-7-methylimidazo[4,5-c]pyridazine
CID 167506554

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine (CID 163697092) is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C)ncc2n1C.
What is the InChIKey of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine?
The InChIKey is JXVJOXHAEWPIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-25(23,24)16-8-13(12-5-6-12)9-20-17(16)18-21-14-7-11(2)19-10-15(14)22(18)3/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine?
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine has a molecular weight of 356.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine is sourced from PubChem (CID 163697092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).