(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C32H37FN2O — CID 164924406

IUPAC(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN1CCC2(CC1)CCN(c1ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)c(F)c1)C2
InChIInChI=1S/C32H37FN2O/c1-2-34-17-14-32(15-18-34)16-19-35(22-32)25-9-12-29(30(33)21-25)31-27(23-6-4-3-5-7-23)11-8-24-20-26(36)10-13-28(24)31/h3-7,9-10,12-13,20-21,27,31,36H,2,8,11,14-19,22H2,1H3/t27-,31+/m1/s1
InChIKeyWAFIKTLKFNTJHY-JOMNFKBKSA-N
MW484.66 g/mol
LogP6.71
Rot. Bonds4

About (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 164924406) has the molecular formula C32H37FN2O and a molecular weight of 484.66 g/mol. Its IUPAC name is (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID164924406
Molecular FormulaC32H37FN2O
Molecular Weight484.66 g/mol
Exact Mass484.29
IUPAC Name(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCN1CCC2(CC1)CCN(c1ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)c(F)c1)C2
InChIInChI=1S/C32H37FN2O/c1-2-34-17-14-32(15-18-34)16-19-35(22-32)25-9-12-29(30(33)21-25)31-27(23-6-4-3-5-7-23)11-8-24-20-26(36)10-13-28(24)31/h3-7,9-10,12-13,20-21,27,31,36H,2,8,11,14-19,22H2,1H3/t27-,31+/m1/s1
InChIKeyWAFIKTLKFNTJHY-JOMNFKBKSA-N
XLogP6.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.66
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-6-[2-[2-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-8-yl]acetyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 171719989
2-[8-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-2,8-diazaspiro[4.5]decan-2-yl]acetaldehyde
CID 164923450
(6S)-5-[4-(2,7-diazaspiro[4.4]nonan-2-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923324
2-[2-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-2,8-diazaspiro[3.5]nonan-8-yl]acetic acid
CID 164924450
(3R)-3-[4-[2-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]phenyl]piperidine-2,6-dione
CID 170706421
(3S)-3-[4-[2-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,8-diazaspiro[4.5]decan-8-yl]phenyl]piperidine-2,6-dione
CID 170706589
(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923491
2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione
CID 170564451
2-[2-fluoro-4-[(1R,2R)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]-5-methoxyphenyl]-2-azaspiro[3.5]nonane-7-carbaldehyde
CID 170728862
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787
3-[6-[4-[[1-[3-fluoro-4-[(1S,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134562564
1-[4-(6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidine-4-carboxylic acid
CID 164923007

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 164924406) is (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is CCN1CCC2(CC1)CCN(c1ccc([C@@H]3c4ccc(O)cc4CC[C@@H]3c3ccccc3)c(F)c1)C2.
What is the InChIKey of (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is WAFIKTLKFNTJHY-JOMNFKBKSA-N. The full InChI is InChI=1S/C32H37FN2O/c1-2-34-17-14-32(15-18-34)16-19-35(22-32)25-9-12-29(30(33)21-25)31-27(23-6-4-3-5-7-23)11-8-24-20-26(36)10-13-28(24)31/h3-7,9-10,12-13,20-21,27,31,36H,2,8,11,14-19,22H2,1H3/t27-,31+/m1/s1.
What are the key properties of (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 484.66 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-[4-(8-ethyl-2,8-diazaspiro[4.5]decan-2-yl)-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 164924406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).