3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine

C19H21FN4O2S — CID 53194805

IUPAC3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc2ccncc21
InChIInChI=1S/C19H21FN4O2S/c1-2-24-18-11-21-8-6-17(18)22-19(24)15-7-9-23(12-15)27(25,26)13-14-4-3-5-16(20)10-14/h3-6,8,10-11,15H,2,7,9,12-13H2,1H3
InChIKeyXEHOAQQPCHMOOA-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.91
Rot. Bonds5

About 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine

3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine (PubChem CID 53194805) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine
PubChem CID53194805
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC Name3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine
SMILESCCn1c(C2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc2ccncc21
InChIInChI=1S/C19H21FN4O2S/c1-2-24-18-11-21-8-6-17(18)22-19(24)15-7-9-23(12-15)27(25,26)13-14-4-3-5-16(20)10-14/h3-6,8,10-11,15H,2,7,9,12-13H2,1H3
InChIKeyXEHOAQQPCHMOOA-UHFFFAOYSA-N
XLogP2.91
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine (CID 53194805) is 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine is CCn1c(C2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)nc2ccncc21.
What is the InChIKey of 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
The InChIKey is XEHOAQQPCHMOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-2-24-18-11-21-8-6-17(18)22-19(24)15-7-9-23(12-15)27(25,26)13-14-4-3-5-16(20)10-14/h3-6,8,10-11,15H,2,7,9,12-13H2,1H3.
What are the key properties of 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine?
3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine has a molecular weight of 388.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[1-[(3-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 53194805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).