3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine

C23H27N3O3S — CID 71840183

IUPAC3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(S(=O)(=O)N2CC=C(c3cn(C(C)C)c4ncccc34)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-4-29-19-7-9-20(10-8-19)30(27,28)25-14-11-18(12-15-25)22-16-26(17(2)3)23-21(22)6-5-13-24-23/h5-11,13,16-17H,4,12,14-15H2,1-3H3
InChIKeyBZKWCGDFLSNDNC-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.49
Rot. Bonds6

About 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine

3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 71840183) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID71840183
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCCOc1ccc(S(=O)(=O)N2CC=C(c3cn(C(C)C)c4ncccc34)CC2)cc1
InChIInChI=1S/C23H27N3O3S/c1-4-29-19-7-9-20(10-8-19)30(27,28)25-14-11-18(12-15-25)22-16-26(17(2)3)23-21(22)6-5-13-24-23/h5-11,13,16-17H,4,12,14-15H2,1-3H3
InChIKeyBZKWCGDFLSNDNC-UHFFFAOYSA-N
XLogP4.49
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 71840183) is 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine is CCOc1ccc(S(=O)(=O)N2CC=C(c3cn(C(C)C)c4ncccc34)CC2)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is BZKWCGDFLSNDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-4-29-19-7-9-20(10-8-19)30(27,28)25-14-11-18(12-15-25)22-16-26(17(2)3)23-21(22)6-5-13-24-23/h5-11,13,16-17H,4,12,14-15H2,1-3H3.
What are the key properties of 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine?
3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 425.55 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 71840183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).