7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine

C19H23FN4O5S2 — CID 24898540

IUPAC7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(S(C)(=O)=O)CC4)ncnc32)c(F)c1
InChIInChI=1S/C19H23FN4O5S2/c1-30(25,26)14-3-4-17(16(20)11-14)24-10-7-15-18(24)21-12-22-19(15)29-13-5-8-23(9-6-13)31(2,27)28/h3-4,11-13H,5-10H2,1-2H3
InChIKeyVFADZAMRKRAGQU-UHFFFAOYSA-N
MW470.55 g/mol
LogP1.52
Rot. Bonds5

About 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine

7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine (PubChem CID 24898540) has the molecular formula C19H23FN4O5S2 and a molecular weight of 470.55 g/mol. Its IUPAC name is 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine
PubChem CID24898540
Molecular FormulaC19H23FN4O5S2
Molecular Weight470.55 g/mol
Exact Mass470.11
IUPAC Name7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine
SMILESCS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(S(C)(=O)=O)CC4)ncnc32)c(F)c1
InChIInChI=1S/C19H23FN4O5S2/c1-30(25,26)14-3-4-17(16(20)11-14)24-10-7-15-18(24)21-12-22-19(15)29-13-5-8-23(9-6-13)31(2,27)28/h3-4,11-13H,5-10H2,1-2H3
InChIKeyVFADZAMRKRAGQU-UHFFFAOYSA-N
XLogP1.52
TPSA109.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine 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 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine (CID 24898540) is 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine is CS(=O)(=O)c1ccc(N2CCc3c(OC4CCN(S(C)(=O)=O)CC4)ncnc32)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine?
The InChIKey is VFADZAMRKRAGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O5S2/c1-30(25,26)14-3-4-17(16(20)11-14)24-10-7-15-18(24)21-12-22-19(15)29-13-5-8-23(9-6-13)31(2,27)28/h3-4,11-13H,5-10H2,1-2H3.
What are the key properties of 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine?
7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine has a molecular weight of 470.55 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methylsulfonylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 24898540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).