5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide

C18H16F3N5O3S — CID 171049359

IUPAC5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(Oc2ccc(C(F)(F)F)cn2)c(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C18H16F3N5O3S/c1-22-30(27,28)12-7-13(14-10-26-6-2-3-15(26)25-14)17(24-9-12)29-16-5-4-11(8-23-16)18(19,20)21/h4-5,7-10,22H,2-3,6H2,1H3
InChIKeyRKOCLEFNRXSATQ-UHFFFAOYSA-N
MW439.42 g/mol
LogP3.01
Rot. Bonds5

About 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide

5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide (PubChem CID 171049359) has the molecular formula C18H16F3N5O3S and a molecular weight of 439.42 g/mol. Its IUPAC name is 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
PubChem CID171049359
Molecular FormulaC18H16F3N5O3S
Molecular Weight439.42 g/mol
Exact Mass439.09
IUPAC Name5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc(Oc2ccc(C(F)(F)F)cn2)c(-c2cn3c(n2)CCC3)c1
InChIInChI=1S/C18H16F3N5O3S/c1-22-30(27,28)12-7-13(14-10-26-6-2-3-15(26)25-14)17(24-9-12)29-16-5-4-11(8-23-16)18(19,20)21/h4-5,7-10,22H,2-3,6H2,1H3
InChIKeyRKOCLEFNRXSATQ-UHFFFAOYSA-N
XLogP3.01
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide 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

3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-(3-fluorophenoxy)-N-methylbenzenesulfonamide
CID 171049336
3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-4-[[6-(2-hydroxypropan-2-yl)-3-pyridinyl]amino]-N-methylbenzenesulfonamide
CID 167308072
3-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-N-methyl-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
CID 167308173
N-methyl-3-[(6R)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049373
N-methyl-3-[(6S)-6-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049351
2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 126832344
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
2-[(1-cyanopyrrolidin-3-yl)methyl]-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 175357677
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370854
N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-sulfonamide
CID 166205362
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide?
The IUPAC name of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide (CID 171049359) is 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide is CNS(=O)(=O)c1cnc(Oc2ccc(C(F)(F)F)cn2)c(-c2cn3c(n2)CCC3)c1.
What is the InChIKey of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide?
The InChIKey is RKOCLEFNRXSATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O3S/c1-22-30(27,28)12-7-13(14-10-26-6-2-3-15(26)25-14)17(24-9-12)29-16-5-4-11(8-23-16)18(19,20)21/h4-5,7-10,22H,2-3,6H2,1H3.
What are the key properties of 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide?
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide has a molecular weight of 439.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-N-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-3-sulfonamide is sourced from PubChem (CID 171049359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).