(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

C19H22N4O4 — CID 164688259

IUPAC(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H22N4O4/c24-15-7-10-22(12-19(15)8-4-9-20-18(19)27)17(26)14-11-16(25)23(21-14)13-5-2-1-3-6-13/h1-3,5-6,11,15,21,24H,4,7-10,12H2,(H,20,27)/t15-,19+/m0/s1
InChIKeyJZCLJVBQYSGNHE-HNAYVOBHSA-N
MW370.41 g/mol
LogP0.27
Rot. Bonds2

About (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164688259) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164688259
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
SMILESO=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1
InChIInChI=1S/C19H22N4O4/c24-15-7-10-22(12-19(15)8-4-9-20-18(19)27)17(26)14-11-16(25)23(21-14)13-5-2-1-3-6-13/h1-3,5-6,11,15,21,24H,4,7-10,12H2,(H,20,27)/t15-,19+/m0/s1
InChIKeyJZCLJVBQYSGNHE-HNAYVOBHSA-N
XLogP0.27
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6R,11R)-8-(anthracene-9-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164689776
(6R,11S)-8-(1H-benzimidazole-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691027
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
(6R,11R)-11-hydroxy-8-[4-(trifluoromethyl)benzoyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314836
(6R,11S)-8-(4-chloro-3-methylbenzoyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164692516
(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(6R,11S)-11-hydroxy-8-(4-methoxypyridine-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164699891
(6R,11S)-8-(2,6-dimethylquinoline-4-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164698500
(6R,11R)-11-hydroxy-8-(1-methylindole-4-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164695097
5-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)-4-propylpiperidine-1-carbonyl]-2-phenyl-1H-pyrazol-3-one
CID 155912436
(6R,11R)-8-(8-chloroquinoline-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164693349

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one (CID 164688259) is (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is O=C(c1cc(=O)n(-c2ccccc2)[nH]1)N1CC[C@H](O)[C@@]2(CCCNC2=O)C1.
What is the InChIKey of (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is JZCLJVBQYSGNHE-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-15-7-10-22(12-19(15)8-4-9-20-18(19)27)17(26)14-11-16(25)23(21-14)13-5-2-1-3-6-13/h1-3,5-6,11,15,21,24H,4,7-10,12H2,(H,20,27)/t15-,19+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 370.41 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-hydroxy-8-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164688259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).