1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine

C19H19N3O3S — CID 25191238

IUPAC1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ncccc21
InChIInChI=1S/C19H19N3O3S/c1-25-17-6-2-3-7-18(17)26(23,24)22-13-15(14-8-11-20-12-9-14)19-16(22)5-4-10-21-19/h2-8,10,13,20H,9,11-12H2,1H3
InChIKeyRKBIUUBUWACQLZ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.66
Rot. Bonds4

About 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine

1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine (PubChem CID 25191238) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
PubChem CID25191238
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ncccc21
InChIInChI=1S/C19H19N3O3S/c1-25-17-6-2-3-7-18(17)26(23,24)22-13-15(14-8-11-20-12-9-14)19-16(22)5-4-10-21-19/h2-8,10,13,20H,9,11-12H2,1H3
InChIKeyRKBIUUBUWACQLZ-UHFFFAOYSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine (CID 25191238) is 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine is COc1ccccc1S(=O)(=O)n1cc(C2=CCNCC2)c2ncccc21.
What is the InChIKey of 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine?
The InChIKey is RKBIUUBUWACQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-25-17-6-2-3-7-18(17)26(23,24)22-13-15(14-8-11-20-12-9-14)19-16(22)5-4-10-21-19/h2-8,10,13,20H,9,11-12H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine?
1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine has a molecular weight of 369.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)sulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 25191238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).