3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine

C23H27N3O4S — CID 71840197

IUPAC3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
SMILESCCCn1cc(C2=CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c2cccnc21
InChIInChI=1S/C23H27N3O4S/c1-4-12-25-16-20(19-6-5-11-24-23(19)25)17-9-13-26(14-10-17)31(27,28)22-15-18(29-2)7-8-21(22)30-3/h5-9,11,15-16H,4,10,12-14H2,1-3H3
InChIKeyJNNCBUBQPRORHF-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.94
Rot. Bonds7

About 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine

3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine (PubChem CID 71840197) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
PubChem CID71840197
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
SMILESCCCn1cc(C2=CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c2cccnc21
InChIInChI=1S/C23H27N3O4S/c1-4-12-25-16-20(19-6-5-11-24-23(19)25)17-9-13-26(14-10-17)31(27,28)22-15-18(29-2)7-8-21(22)30-3/h5-9,11,15-16H,4,10,12-14H2,1-3H3
InChIKeyJNNCBUBQPRORHF-UHFFFAOYSA-N
XLogP3.94
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-propyl-3-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]pyrrolo[2,3-b]pyridine
CID 71840187
3-[1-(3-chlorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine
CID 71840198
N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161211
3-[1-(3-chloro-4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-ethylpyrrolo[2,3-b]pyridine
CID 71840233
3-[1-(2,5-difluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161192
2-[3-(2,5-dimethoxyphenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethanamine
CID 11508786
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methyl-1H-indole
CID 20867231
N-(2,5-dimethoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161153
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-[(3-methoxyphenyl)methyl]-2-methylindole
CID 53027580
N-cyclohexyl-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161214
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 8795280

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine (CID 71840197) is 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine is CCCn1cc(C2=CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c2cccnc21.
What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
The InChIKey is JNNCBUBQPRORHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-12-25-16-20(19-6-5-11-24-23(19)25)17-9-13-26(14-10-17)31(27,28)22-15-18(29-2)7-8-21(22)30-3/h5-9,11,15-16H,4,10,12-14H2,1-3H3.
What are the key properties of 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine?
3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine has a molecular weight of 441.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71840197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).