3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine

C19H18FN3O2S — CID 53161189

IUPAC3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2cccnc21
InChIInChI=1S/C19H18FN3O2S/c1-22-13-18(17-6-3-9-21-19(17)22)14-7-10-23(11-8-14)26(24,25)16-5-2-4-15(20)12-16/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyDOWVJAIHUIKWGT-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.19
Rot. Bonds3

About 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine

3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine (PubChem CID 53161189) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
PubChem CID53161189
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
SMILESCn1cc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2cccnc21
InChIInChI=1S/C19H18FN3O2S/c1-22-13-18(17-6-3-9-21-19(17)22)14-7-10-23(11-8-14)26(24,25)16-5-2-4-15(20)12-16/h2-7,9,12-13H,8,10-11H2,1H3
InChIKeyDOWVJAIHUIKWGT-UHFFFAOYSA-N
XLogP3.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,5-difluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161192
3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840198
1-(3-fluorophenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 3715757
3-[1-(3-chloro-4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-ethylpyrrolo[2,3-b]pyridine
CID 71840233
1-propyl-3-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine
CID 71840187
N-(2,4-difluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161157
4-(3-fluorophenyl)sulfonyl-1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97468902
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840197
3-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 31843281
3-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 24627233
3-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-1-methylpyrrolo[2,3-b]pyridine
CID 53145459
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine (CID 53161189) is 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine is Cn1cc(C2=CCN(S(=O)(=O)c3cccc(F)c3)CC2)c2cccnc21.
What is the InChIKey of 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine?
The InChIKey is DOWVJAIHUIKWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-22-13-18(17-6-3-9-21-19(17)22)14-7-10-23(11-8-14)26(24,25)16-5-2-4-15(20)12-16/h2-7,9,12-13H,8,10-11H2,1H3.
What are the key properties of 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine?
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 371.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53161189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).