4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile

C66H54F3N21O6S3 — CID 158313334

IUPAC4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O
InChIInChI=1S/3C22H18FN7O2S/c3*1-12(29-22-16(9-24)21(25)27-11-28-22)15-8-17-18(7-13(23)10-26-17)30-20(15)14-5-3-4-6-19(14)33(2,31)32/h3*3-8,10-12H,1-2H3,(H3,25,27,28,29)/t2*12-;/m10./s1
InChIKeyGNYHZRFNQCPIQC-GPFGRTHNSA-N
MW1390.49 g/mol
LogP9.77
Rot. Bonds15

About 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 158313334) has the molecular formula C66H54F3N21O6S3 and a molecular weight of 1390.49 g/mol. Its IUPAC name is 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID158313334
Molecular FormulaC66H54F3N21O6S3
Molecular Weight1390.49 g/mol
Exact Mass1389.37
IUPAC Name4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O
InChIInChI=1S/3C22H18FN7O2S/c3*1-12(29-22-16(9-24)21(25)27-11-28-22)15-8-17-18(7-13(23)10-26-17)30-20(15)14-5-3-4-6-19(14)33(2,31)32/h3*3-8,10-12H,1-2H3,(H3,25,27,28,29)/t2*12-;/m10./s1
InChIKeyGNYHZRFNQCPIQC-GPFGRTHNSA-N
XLogP9.77
TPSA442.62 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001390.49
LogP ≤ 59.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile (CID 158313334) is 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.C[C@@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.
What is the InChIKey of 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is GNYHZRFNQCPIQC-GPFGRTHNSA-N. The full InChI is InChI=1S/3C22H18FN7O2S/c3*1-12(29-22-16(9-24)21(25)27-11-28-22)15-8-17-18(7-13(23)10-26-17)30-20(15)14-5-3-4-6-19(14)33(2,31)32/h3*3-8,10-12H,1-2H3,(H3,25,27,28,29)/t2*12-;/m10./s1.
What are the key properties of 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 1390.49 g/mol, XLogP of 9.77, 15 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1R)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[1-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 158313334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).