1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride

C19H20Cl2FN3O2S — CID 177345414

IUPAC1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride
SMILESCNC1CCc2c1cc(-c1cccnc1)n2S(=O)(=O)c1cccc(F)c1.Cl.Cl
InChIInChI=1S/C19H18FN3O2S.2ClH/c1-21-17-7-8-18-16(17)11-19(13-4-3-9-22-12-13)23(18)26(24,25)15-6-2-5-14(20)10-15;;/h2-6,9-12,17,21H,7-8H2,1H3;2*1H
InChIKeyFLZUAGBZKZCDDT-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.98
Rot. Bonds4

About 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride

1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride (PubChem CID 177345414) has the molecular formula C19H20Cl2FN3O2S and a molecular weight of 444.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride
PubChem CID177345414
Molecular FormulaC19H20Cl2FN3O2S
Molecular Weight444.36 g/mol
Exact Mass443.06
IUPAC Name1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride
SMILESCNC1CCc2c1cc(-c1cccnc1)n2S(=O)(=O)c1cccc(F)c1.Cl.Cl
InChIInChI=1S/C19H18FN3O2S.2ClH/c1-21-17-7-8-18-16(17)11-19(13-4-3-9-22-12-13)23(18)26(24,25)15-6-2-5-14(20)10-15;;/h2-6,9-12,17,21H,7-8H2,1H3;2*1H
InChIKeyFLZUAGBZKZCDDT-UHFFFAOYSA-N
XLogP3.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride
CID 177345424
2-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride
CID 177345438
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357643
N-methyl-1-[1-(3-methylsulfonylphenyl)sulfonyl-5-pyridin-3-ylpyrrol-3-yl]methanamine
CID 66925158
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
1-[5-(2,4-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;dihydrochloride
CID 66925105
3-fluoro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 91624838
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
3-fluoro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 16821328
2-(3-chlorophenyl)sulfonyl-N-methyl-3-(6-methyl-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-amine
CID 121476392
1-[5-(2,5-difluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66925096

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride (CID 177345414) is 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride is CNC1CCc2c1cc(-c1cccnc1)n2S(=O)(=O)c1cccc(F)c1.Cl.Cl.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride?
The InChIKey is FLZUAGBZKZCDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S.2ClH/c1-21-17-7-8-18-16(17)11-19(13-4-3-9-22-12-13)23(18)26(24,25)15-6-2-5-14(20)10-15;;/h2-6,9-12,17,21H,7-8H2,1H3;2*1H.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride?
1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride has a molecular weight of 444.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-N-methyl-2-pyridin-3-yl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;dihydrochloride is sourced from PubChem (CID 177345414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).