5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

C14H14FN3O4S — CID 134070087

IUPAC5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCn1cnc2c1C(C(=O)O)CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C14H14FN3O4S/c1-17-8-16-12-7-18(6-11(13(12)17)14(19)20)23(21,22)10-4-2-3-9(15)5-10/h2-5,8,11H,6-7H2,1H3,(H,19,20)
InChIKeyDWRVCPZDPVBZQF-UHFFFAOYSA-N
MW339.35 g/mol
LogP0.93
Rot. Bonds3

About 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid

5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (PubChem CID 134070087) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
PubChem CID134070087
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid
SMILESCn1cnc2c1C(C(=O)O)CN(S(=O)(=O)c1cccc(F)c1)C2
InChIInChI=1S/C14H14FN3O4S/c1-17-8-16-12-7-18(6-11(13(12)17)14(19)20)23(21,22)10-4-2-3-9(15)5-10/h2-5,8,11H,6-7H2,1H3,(H,19,20)
InChIKeyDWRVCPZDPVBZQF-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid (CID 134070087) is 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is Cn1cnc2c1C(C(=O)O)CN(S(=O)(=O)c1cccc(F)c1)C2.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
The InChIKey is DWRVCPZDPVBZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-17-8-16-12-7-18(6-11(13(12)17)14(19)20)23(21,22)10-4-2-3-9(15)5-10/h2-5,8,11H,6-7H2,1H3,(H,19,20).
What are the key properties of 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid?
5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxylic acid is sourced from PubChem (CID 134070087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).