[1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol

C21H21FN4O3S — CID 118598448

IUPAC[1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cnc(-c2ccc(-c3ccccc3)c(S(=O)(=O)N3CCCC3CO)c2F)cn1
InChIInChI=1S/C21H21FN4O3S/c22-20-17(18-11-25-19(23)12-24-18)9-8-16(14-5-2-1-3-6-14)21(20)30(28,29)26-10-4-7-15(26)13-27/h1-3,5-6,8-9,11-12,15,27H,4,7,10,13H2,(H2,23,25)
InChIKeyCKTAOZULAGBRBX-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.68
Rot. Bonds5

About [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol

[1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol (PubChem CID 118598448) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol
PubChem CID118598448
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name[1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol
SMILESNc1cnc(-c2ccc(-c3ccccc3)c(S(=O)(=O)N3CCCC3CO)c2F)cn1
InChIInChI=1S/C21H21FN4O3S/c22-20-17(18-11-25-19(23)12-24-18)9-8-16(14-5-2-1-3-6-14)21(20)30(28,29)26-10-4-7-15(26)13-27/h1-3,5-6,8-9,11-12,15,27H,4,7,10,13H2,(H2,23,25)
InChIKeyCKTAOZULAGBRBX-UHFFFAOYSA-N
XLogP2.68
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

[(2S)-1-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-6-fluorophenyl]sulfonylpyrrolidin-2-yl]methanol
CID 118598509
[1-(4-pyridin-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 91467228
[1-[(5-aminopyrazin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 103056039
[1-(2-phenylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988617
[(2S)-1-(4-fluoro-2,6-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107328232
[(2R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 66260781
[1-(5-amino-2,3-difluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 65020971
[1-(6-amino-2,3-dimethylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61410837
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
[1-(2-amino-6-fluoro-4-nitrophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 62158489
2,6-difluoro-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 107215276
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875

Frequently Asked Questions

What is the IUPAC name of [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol (CID 118598448) is [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol is Nc1cnc(-c2ccc(-c3ccccc3)c(S(=O)(=O)N3CCCC3CO)c2F)cn1.
What is the InChIKey of [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is CKTAOZULAGBRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c22-20-17(18-11-25-19(23)12-24-18)9-8-16(14-5-2-1-3-6-14)21(20)30(28,29)26-10-4-7-15(26)13-27/h1-3,5-6,8-9,11-12,15,27H,4,7,10,13H2,(H2,23,25).
What are the key properties of [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol?
[1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 428.49 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(5-aminopyrazin-2-yl)-2-fluoro-6-phenylphenyl]sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 118598448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).