4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine

C24H26FN3O4S — CID 90412224

IUPAC4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCS(=O)(=O)N1CC2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)CC2C1
InChIInChI=1S/C24H26FN3O4S/c1-31-7-8-33(29,30)28-13-16-9-15(10-17(16)14-28)22-12-21-19(5-6-26-24(21)27-22)20-11-18(25)3-4-23(20)32-2/h3-6,9,11-12,16-17H,7-8,10,13-14H2,1-2H3,(H,26,27)
InChIKeyJEUCNWFTHWQZNK-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.69
Rot. Bonds7

About 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine

4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90412224) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID90412224
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCS(=O)(=O)N1CC2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)CC2C1
InChIInChI=1S/C24H26FN3O4S/c1-31-7-8-33(29,30)28-13-16-9-15(10-17(16)14-28)22-12-21-19(5-6-26-24(21)27-22)20-11-18(25)3-4-23(20)32-2/h3-6,9,11-12,16-17H,7-8,10,13-14H2,1-2H3,(H,26,27)
InChIKeyJEUCNWFTHWQZNK-UHFFFAOYSA-N
XLogP3.69
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[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 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine (CID 90412224) is 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine is COCCS(=O)(=O)N1CC2C=C(c3cc4c(-c5cc(F)ccc5OC)ccnc4[nH]3)CC2C1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JEUCNWFTHWQZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c1-31-7-8-33(29,30)28-13-16-9-15(10-17(16)14-28)22-12-21-19(5-6-26-24(21)27-22)20-11-18(25)3-4-23(20)32-2/h3-6,9,11-12,16-17H,7-8,10,13-14H2,1-2H3,(H,26,27).
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine?
4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 471.55 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-2-[2-(2-methoxyethylsulfonyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90412224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).