1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol

C20H19FN4O4S — CID 90314151

IUPAC1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C(O)C3)cc2F)cn1
InChIInChI=1S/C20H19FN4O4S/c21-15-7-12(5-6-14(15)16-8-24-20(22)9-23-16)13-3-1-2-4-19(13)30(28,29)25-10-17(26)18(27)11-25/h1-9,17-18,26-27H,10-11H2,(H2,22,24)
InChIKeyDWXZSEQKKSMSCO-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.26
Rot. Bonds4

About 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol

1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol (PubChem CID 90314151) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
PubChem CID90314151
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
SMILESNc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C(O)C3)cc2F)cn1
InChIInChI=1S/C20H19FN4O4S/c21-15-7-12(5-6-14(15)16-8-24-20(22)9-23-16)13-3-1-2-4-19(13)30(28,29)25-10-17(26)18(27)11-25/h1-9,17-18,26-27H,10-11H2,(H2,22,24)
InChIKeyDWXZSEQKKSMSCO-UHFFFAOYSA-N
XLogP1.26
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol?
The IUPAC name of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol (CID 90314151) is 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol is Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CC(O)C(O)C3)cc2F)cn1.
What is the InChIKey of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol?
The InChIKey is DWXZSEQKKSMSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c21-15-7-12(5-6-14(15)16-8-24-20(22)9-23-16)13-3-1-2-4-19(13)30(28,29)25-10-17(26)18(27)11-25/h1-9,17-18,26-27H,10-11H2,(H2,22,24).
What are the key properties of 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol?
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol has a molecular weight of 430.46 g/mol, XLogP of 1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol is sourced from PubChem (CID 90314151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).