5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine

C17H21N3O4S — CID 168890738

IUPAC5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncc(C2OCCO2)n1C
InChIInChI=1S/C17H21N3O4S/c1-3-25(21,22)14-8-12(11-4-5-11)9-18-15(14)16-19-10-13(20(16)2)17-23-6-7-24-17/h8-11,17H,3-7H2,1-2H3
InChIKeyYTZMIBUGHGYIHS-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.20
Rot. Bonds5

About 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine

5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine (PubChem CID 168890738) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine
PubChem CID168890738
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncc(C2OCCO2)n1C
InChIInChI=1S/C17H21N3O4S/c1-3-25(21,22)14-8-12(11-4-5-11)9-18-15(14)16-19-10-13(20(16)2)17-23-6-7-24-17/h8-11,17H,3-7H2,1-2H3
InChIKeyYTZMIBUGHGYIHS-UHFFFAOYSA-N
XLogP2.20
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,6-dimethylimidazo[4,5-c]pyridine
CID 163697092
2-[5-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-cyclopropyl-3-ethylsulfonylpyridine
CID 166728806
5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine
CID 161370943
6-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-3-(1,1-difluoroethyl)-7-methylimidazo[4,5-c]pyridazine
CID 167506554
2-[5-(5-cyclopropyl-2-pyridinyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridine
CID 168853998
5-chloro-3-ethylsulfonyl-2-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1-methylimidazol-2-yl]pyridine
CID 152558181
[5-cyclopropyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 168736520
2-[5-(4-cyclopropylphenyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine
CID 167506667
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
6-cyclopropyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
CID 118973507
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 155660470
3-ethylsulfonyl-2-[1-methyl-5-(1,1,2,2,2-pentafluoroethyl)imidazol-2-yl]-5-(trifluoromethyl)pyridine
CID 168753793

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine?
The IUPAC name of 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine (CID 168890738) is 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine.
What is the SMILES notation for 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine?
The canonical SMILES for 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine is CCS(=O)(=O)c1cc(C2CC2)cnc1-c1ncc(C2OCCO2)n1C.
What is the InChIKey of 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine?
The InChIKey is YTZMIBUGHGYIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-3-25(21,22)14-8-12(11-4-5-11)9-18-15(14)16-19-10-13(20(16)2)17-23-6-7-24-17/h8-11,17H,3-7H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine?
5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine has a molecular weight of 363.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[5-(1,3-dioxolan-2-yl)-1-methylimidazol-2-yl]-3-ethylsulfonylpyridine is sourced from PubChem (CID 168890738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).