[1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid

C22H32FN2O7PS — CID 123300709

IUPAC[1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
SMILESCCC(C)(CC1OC(c2cc3cc(F)c(C)nc3[nH]c2=S)C(O)C1O)OP(=O)(O)C(C)(O)CC
InChIInChI=1S/C22H32FN2O7PS/c1-6-21(4,32-33(29,30)22(5,28)7-2)10-15-16(26)17(27)18(31-15)13-8-12-9-14(23)11(3)24-19(12)25-20(13)34/h8-9,15-18,26-28H,6-7,10H2,1-5H3,(H,29,30)(H,24,25,34)
InChIKeyBIHSWGVAGRTMBZ-UHFFFAOYSA-N
MW518.54 g/mol
LogP3.78
Rot. Bonds8

About [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid

[1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid (PubChem CID 123300709) has the molecular formula C22H32FN2O7PS and a molecular weight of 518.54 g/mol. Its IUPAC name is [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid.

Molecular Properties

Compound Name[1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
PubChem CID123300709
Molecular FormulaC22H32FN2O7PS
Molecular Weight518.54 g/mol
Exact Mass518.17
IUPAC Name[1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid
SMILESCCC(C)(CC1OC(c2cc3cc(F)c(C)nc3[nH]c2=S)C(O)C1O)OP(=O)(O)C(C)(O)CC
InChIInChI=1S/C22H32FN2O7PS/c1-6-21(4,32-33(29,30)22(5,28)7-2)10-15-16(26)17(27)18(31-15)13-8-12-9-14(23)11(3)24-19(12)25-20(13)34/h8-9,15-18,26-28H,6-7,10H2,1-5H3,(H,29,30)(H,24,25,34)
InChIKeyBIHSWGVAGRTMBZ-UHFFFAOYSA-N
XLogP3.78
TPSA145.13 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.54
LogP ≤ 53.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid 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 [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid?
The IUPAC name of [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid (CID 123300709) is [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid.
What is the SMILES notation for [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid?
The canonical SMILES for [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid is CCC(C)(CC1OC(c2cc3cc(F)c(C)nc3[nH]c2=S)C(O)C1O)OP(=O)(O)C(C)(O)CC.
What is the InChIKey of [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid?
The InChIKey is BIHSWGVAGRTMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN2O7PS/c1-6-21(4,32-33(29,30)22(5,28)7-2)10-15-16(26)17(27)18(31-15)13-8-12-9-14(23)11(3)24-19(12)25-20(13)34/h8-9,15-18,26-28H,6-7,10H2,1-5H3,(H,29,30)(H,24,25,34).
What are the key properties of [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid?
[1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid has a molecular weight of 518.54 g/mol, XLogP of 3.78, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(6-fluoro-7-methyl-2-sulfanylidene-1H-1,8-naphthyridin-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-methylbutan-2-yl]oxy-(2-hydroxybutan-2-yl)phosphinic acid is sourced from PubChem (CID 123300709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).