5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine

C20H19FN4O2S — CID 90313801

IUPAC5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O2S/c21-17-10-13(7-8-16(17)18-11-25-19(22)12-24-18)15-6-3-9-23-20(15)28(26,27)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H2,22,25)
InChIKeyUEQZKVCYCZQCHV-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.64
Rot. Bonds4

About 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine

5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90313801) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
PubChem CID90313801
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC Name5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCC3)cc2F)cn1
InChIInChI=1S/C20H19FN4O2S/c21-17-10-13(7-8-16(17)18-11-25-19(22)12-24-18)15-6-3-9-23-20(15)28(26,27)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H2,22,25)
InChIKeyUEQZKVCYCZQCHV-UHFFFAOYSA-N
XLogP3.64
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine 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 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine (CID 90313801) is 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCCC3)cc2F)cn1.
What is the InChIKey of 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is UEQZKVCYCZQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c21-17-10-13(7-8-16(17)18-11-25-19(22)12-24-18)15-6-3-9-23-20(15)28(26,27)14-4-1-2-5-14/h3,6-12,14H,1-2,4-5H2,(H2,22,25).
What are the key properties of 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine?
5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 398.46 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyclopentylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90313801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).