(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

C19H23FN4O2 — CID 163314770

IUPAC(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(Cc1cn[nH]c1-c1cccc(F)c1)CC[C@@H]2O
InChIInChI=1S/C19H23FN4O2/c20-15-4-1-3-13(9-15)17-14(10-22-23-17)11-24-8-5-16(25)19(12-24)6-2-7-21-18(19)26/h1,3-4,9-10,16,25H,2,5-8,11-12H2,(H,21,26)(H,22,23)/t16-,19+/m0/s1
InChIKeyCPGSSVIQHLYJEU-QFBILLFUSA-N
MW358.42 g/mol
LogP1.68
Rot. Bonds3

About (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 163314770) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID163314770
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C1NCCC[C@]12CN(Cc1cn[nH]c1-c1cccc(F)c1)CC[C@@H]2O
InChIInChI=1S/C19H23FN4O2/c20-15-4-1-3-13(9-15)17-14(10-22-23-17)11-24-8-5-16(25)19(12-24)6-2-7-21-18(19)26/h1,3-4,9-10,16,25H,2,5-8,11-12H2,(H,21,26)(H,22,23)/t16-,19+/m0/s1
InChIKeyCPGSSVIQHLYJEU-QFBILLFUSA-N
XLogP1.68
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
(6R,11S)-8-[(2,3-difluoro-4-methylphenyl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698502
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166300747
(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 72910665
2-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289525
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45198658
(6R,11S)-11-hydroxy-8-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163311751
2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28735204
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 77085482
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
(6R,11S)-8-[(6-chloroquinolin-2-yl)methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163312908
(3aR,5R,6R,7aS)-2-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172655267

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one (CID 163314770) is (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is O=C1NCCC[C@]12CN(Cc1cn[nH]c1-c1cccc(F)c1)CC[C@@H]2O.
What is the InChIKey of (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is CPGSSVIQHLYJEU-QFBILLFUSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-4-1-3-13(9-15)17-14(10-22-23-17)11-24-8-5-16(25)19(12-24)6-2-7-21-18(19)26/h1,3-4,9-10,16,25H,2,5-8,11-12H2,(H,21,26)(H,22,23)/t16-,19+/m0/s1.
What are the key properties of (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 358.42 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 163314770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).