[4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol

C19H23FN2O3S — CID 59788813

IUPAC[4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1CO)CCCN2S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-12(2)18-16(11-23)17(13-6-8-14(20)9-7-13)15-5-4-10-22(19(15)21-18)26(3,24)25/h6-9,12,23H,4-5,10-11H2,1-3H3
InChIKeyQKHVEEFYJVQYAV-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.22
Rot. Bonds4

About [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol

[4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol (PubChem CID 59788813) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol
PubChem CID59788813
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name[4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)c1CO)CCCN2S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-12(2)18-16(11-23)17(13-6-8-14(20)9-7-13)15-5-4-10-22(19(15)21-18)26(3,24)25/h6-9,12,23H,4-5,10-11H2,1-3H3
InChIKeyQKHVEEFYJVQYAV-UHFFFAOYSA-N
XLogP3.22
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005170
6-(4-fluorophenyl)-5-(hydroxymethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-13-carboxylic acid;methyl 6-(4-fluorophenyl)-5-(hydroxymethyl)-4-propan-2-yl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-13-carboxylate
CID 159060506
(E,4R,6S)-8-[4-(4-fluorophenyl)-2-propan-2-yl-8-propan-2-ylsulfonyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-4,6-dihydroxyoct-7-en-2-one
CID 59788816
sodium (E,3R,5S)-7-[4-(4-fluorophenyl)-2-propan-2-yl-8-propan-2-ylsulfonyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-3,5-dihydroxyhept-6-enoate
CID 23677759
(E,4R,6S)-8-[8-(benzenesulfonyl)-4-(4-fluorophenyl)-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-4,6-dihydroxyoct-7-en-2-one
CID 59788812
dichloromethane;12-(4-fluorophenyl)-8-methyl-14-propan-2-yl-3,6,8,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-13-carbaldehyde;[12-(4-fluorophenyl)-8-methyl-14-propan-2-yl-3,6,8,15-tetrazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]methanol
CID 160998607
[4-(4-fluorophenyl)-5-methoxy-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 53407193
4-[4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)-3-pyridinyl]butan-1-ol
CID 22005370
[4-(4-fluorophenyl)-6-methyl-5-(nitrosomethyl)-2-propan-2-yl-3-pyridinyl]methanol
CID 54316367
[4-(4-fluorophenyl)-5-(4-methylpentyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005324
[4-(4-fluorophenyl)-5-(1-methoxyethyl)-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005217
[4-(4-fluorophenyl)-2,6-di(propan-2-yl)-5-(trideuteriomethoxymethyl)-3-pyridinyl]methanol
CID 11645697

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol (CID 59788813) is [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol is CC(C)c1nc2c(c(-c3ccc(F)cc3)c1CO)CCCN2S(C)(=O)=O.
What is the InChIKey of [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol?
The InChIKey is QKHVEEFYJVQYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-12(2)18-16(11-23)17(13-6-8-14(20)9-7-13)15-5-4-10-22(19(15)21-18)26(3,24)25/h6-9,12,23H,4-5,10-11H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol?
[4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol has a molecular weight of 378.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-8-methylsulfonyl-2-propan-2-yl-6,7-dihydro-5H-1,8-naphthyridin-3-yl]methanol is sourced from PubChem (CID 59788813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).