2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol

C18H17FN2O3S — CID 67239005

IUPAC2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H17FN2O3S/c1-18(2,22)13-9-14-15(8-11(19)10-20-14)21-17(13)12-6-4-5-7-16(12)25(3,23)24/h4-10,22H,1-3H3
InChIKeyCXWFZKOQJAYSKF-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.07
Rot. Bonds3

About 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol

2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol (PubChem CID 67239005) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol
PubChem CID67239005
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O
InChIInChI=1S/C18H17FN2O3S/c1-18(2,22)13-9-14-15(8-11(19)10-20-14)21-17(13)12-6-4-5-7-16(12)25(3,23)24/h4-10,22H,1-3H3
InChIKeyCXWFZKOQJAYSKF-UHFFFAOYSA-N
XLogP3.07
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4,5-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinoline
CID 141294690
2-[1-[2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]ethyl]isoindole-1,3-dione
CID 58318636
8-fluoro-2-(2-methylsulfonylphenyl)-3-propan-2-ylquinoline
CID 130419024
5-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]pyrazin-2-amine
CID 90314323
5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine
CID 174688955
2-[[2-fluoro-3-(trifluoromethyl)phenoxy]methyl]-6-(2-methylsulfonylphenyl)-1H-benzimidazole
CID 69074819
2-tert-butyl-7-fluoro-1,5-naphthyridine
CID 171406590
2-[2-fluoro-3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]propan-2-ol
CID 170785385
1,2-dichloro-4-(2-methylsulfonylphenyl)benzene
CID 57061474
2-(difluoromethyl)-5-(4-fluorophenyl)-4-(2-methylsulfonylphenyl)-1,3-thiazole
CID 22912319
2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
CID 23218110

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol?
The IUPAC name of 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol (CID 67239005) is 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol is CC(C)(O)c1cc2ncc(F)cc2nc1-c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol?
The InChIKey is CXWFZKOQJAYSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-18(2,22)13-9-14-15(8-11(19)10-20-14)21-17(13)12-6-4-5-7-16(12)25(3,23)24/h4-10,22H,1-3H3.
What are the key properties of 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol?
2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol has a molecular weight of 360.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-2-(2-methylsulfonylphenyl)-1,5-naphthyridin-3-yl]propan-2-ol is sourced from PubChem (CID 67239005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).