6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol

C23H30FN3O4S — CID 53483019

IUPAC6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol
SMILESCC(C)Oc1cc(CN2CC[C@]3(CCS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ncc1O
InChIInChI=1S/C23H30FN3O4S/c1-16(2)31-22-12-19(25-14-21(22)28)15-26-9-7-23(13-17(26)3)8-10-32(29,30)27(23)20-6-4-5-18(24)11-20/h4-6,11-12,14,16-17,28H,7-10,13,15H2,1-3H3/t17-,23-/m0/s1
InChIKeyGCJOEPVKWCLEOF-SBUREZEXSA-N
MW463.58 g/mol
LogP3.68
Rot. Bonds5

About 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol

6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol (PubChem CID 53483019) has the molecular formula C23H30FN3O4S and a molecular weight of 463.58 g/mol. Its IUPAC name is 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol.

Molecular Properties

Compound Name6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol
PubChem CID53483019
Molecular FormulaC23H30FN3O4S
Molecular Weight463.58 g/mol
Exact Mass463.19
IUPAC Name6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol
SMILESCC(C)Oc1cc(CN2CC[C@]3(CCS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ncc1O
InChIInChI=1S/C23H30FN3O4S/c1-16(2)31-22-12-19(25-14-21(22)28)15-26-9-7-23(13-17(26)3)8-10-32(29,30)27(23)20-6-4-5-18(24)11-20/h4-6,11-12,14,16-17,28H,7-10,13,15H2,1-3H3/t17-,23-/m0/s1
InChIKeyGCJOEPVKWCLEOF-SBUREZEXSA-N
XLogP3.68
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol 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 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol?
The IUPAC name of 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol (CID 53483019) is 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol.
What is the SMILES notation for 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol?
The canonical SMILES for 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol is CC(C)Oc1cc(CN2CC[C@]3(CCS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ncc1O.
What is the InChIKey of 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol?
The InChIKey is GCJOEPVKWCLEOF-SBUREZEXSA-N. The full InChI is InChI=1S/C23H30FN3O4S/c1-16(2)31-22-12-19(25-14-21(22)28)15-26-9-7-23(13-17(26)3)8-10-32(29,30)27(23)20-6-4-5-18(24)11-20/h4-6,11-12,14,16-17,28H,7-10,13,15H2,1-3H3/t17-,23-/m0/s1.
What are the key properties of 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol?
6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol has a molecular weight of 463.58 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5R,7S)-1-(3-fluorophenyl)-7-methyl-2,2-dioxo-2λ6-thia-1,8-diazaspiro[4.5]decan-8-yl]methyl]-4-propan-2-yloxypyridin-3-ol is sourced from PubChem (CID 53483019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).