3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile

C20H15FN4O2S — CID 90313101

IUPAC3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cnc1N
InChIInChI=1S/C20H15FN4O2S/c21-16-9-12(5-8-15(16)18-11-24-20(23)17(10-22)25-18)14-3-1-2-4-19(14)28(26,27)13-6-7-13/h1-5,8-9,11,13H,6-7H2,(H2,23,24)
InChIKeyDQRPTBDUPMAGMN-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.34
Rot. Bonds4

About 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile

3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile (PubChem CID 90313101) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile
PubChem CID90313101
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cnc1N
InChIInChI=1S/C20H15FN4O2S/c21-16-9-12(5-8-15(16)18-11-24-20(23)17(10-22)25-18)14-3-1-2-4-19(14)28(26,27)13-6-7-13/h1-5,8-9,11,13H,6-7H2,(H2,23,24)
InChIKeyDQRPTBDUPMAGMN-UHFFFAOYSA-N
XLogP3.34
TPSA109.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-amino-6-cyanopyrazin-2-yl)-3-fluorophenyl]-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 90326411
3-amino-6-[2-fluoro-4-[2-(morpholine-4-carbonyl)phenyl]phenyl]pyrazine-2-carbonitrile
CID 90313146
5-[5-(2-cyclopropylsulfonylphenyl)-3-fluoro-2-pyridinyl]pyrimidin-2-amine
CID 90329782
N-tert-butyl-2-[4-(5,6-diaminopyrazin-2-yl)-3-fluorophenyl]benzenesulfonamide
CID 90313552
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfonylpyrrolidine-3,4-diol
CID 90314151
5-[2-fluoro-4-[2-(oxan-4-ylsulfonyl)-3-pyridinyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90315188
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(cyclobutylmethyl)benzenesulfonamide
CID 90312981
5-[4-(2-cyclohexylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine;hydrochloride
CID 90313745
2-[4-(5-amino-3-cyanopyrazin-2-yl)-3-fluorophenyl]-N-ethyl-5-(trifluoromethyl)benzenesulfonamide;5-[4-(2-cyclobutylsulfonyl-3-pyridinyl)-2-fluorophenyl]pyrazin-2-amine
CID 161080300
5-[4-[2-[(3S,4S)-3-amino-4-methylpyrrolidin-1-yl]sulfonylphenyl]-2-fluorophenyl]pyrazin-2-amine
CID 118606086
5-[4-[2-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]phenyl]-2-fluorophenyl]pyrazin-2-amine
CID 90313271
5-[2-fluoro-4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]phenyl]pyrazin-2-amine
CID 90314130

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile (CID 90313101) is 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile is N#Cc1nc(-c2ccc(-c3ccccc3S(=O)(=O)C3CC3)cc2F)cnc1N.
What is the InChIKey of 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile?
The InChIKey is DQRPTBDUPMAGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c21-16-9-12(5-8-15(16)18-11-24-20(23)17(10-22)25-18)14-3-1-2-4-19(14)28(26,27)13-6-7-13/h1-5,8-9,11,13H,6-7H2,(H2,23,24).
What are the key properties of 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile?
3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile has a molecular weight of 394.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(2-cyclopropylsulfonylphenyl)-2-fluorophenyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 90313101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).