(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one

C23H30FN3O2 — CID 58653413

IUPAC(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C23CC4CC(C2)C(O)C(C4)C3)CC[C@@]12CCCN(c1ncccc1F)C2
InChIInChI=1S/C23H30FN3O2/c24-18-3-1-6-25-20(18)26-7-2-4-22(14-26)5-8-27(21(22)29)23-11-15-9-16(12-23)19(28)17(10-15)13-23/h1,3,6,15-17,19,28H,2,4-5,7-14H2/t15?,16?,17?,19?,22-,23?/m1/s1
InChIKeyDXUOQKAYXKQIHD-LBURPLEUSA-N
MW399.51 g/mol
LogP2.98
Rot. Bonds2

About (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653413) has the molecular formula C23H30FN3O2 and a molecular weight of 399.51 g/mol. Its IUPAC name is (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653413
Molecular FormulaC23H30FN3O2
Molecular Weight399.51 g/mol
Exact Mass399.23
IUPAC Name(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C23CC4CC(C2)C(O)C(C4)C3)CC[C@@]12CCCN(c1ncccc1F)C2
InChIInChI=1S/C23H30FN3O2/c24-18-3-1-6-25-20(18)26-7-2-4-22(14-26)5-8-27(21(22)29)23-11-15-9-16(12-23)19(28)17(10-15)13-23/h1,3,6,15-17,19,28H,2,4-5,7-14H2/t15?,16?,17?,19?,22-,23?/m1/s1
InChIKeyDXUOQKAYXKQIHD-LBURPLEUSA-N
XLogP2.98
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methyl-1-adamantyl)-9-[3-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 69097962
N-[3-fluoro-4-[(5R)-2-(4-hydroxy-1-tricyclo[3.3.1.03,7]nonanyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]propanamide
CID 153013389
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126433243
(5S)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 66722303
(5R)-2-(4-hydroxycyclohexyl)-9-[3-(2-trimethylsilylethynyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 69491493
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722584
(3R)-3-[(4-fluorophenyl)methyl]-1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylic acid
CID 95551911
1-(3-fluoro-2-pyridinyl)-4-hydroxypiperidine-4-carbonitrile
CID 86641933
(1-fluorocyclopropyl)-[11-(3-fluoro-2-pyridinyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 131684903
bis[6-(3-fluoro-2-pyridinyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 172686931
(5R)-2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97412333
2-(1-methylpyrazol-4-yl)-9-(3-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131653300

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653413) is (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C23CC4CC(C2)C(O)C(C4)C3)CC[C@@]12CCCN(c1ncccc1F)C2.
What is the InChIKey of (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is DXUOQKAYXKQIHD-LBURPLEUSA-N. The full InChI is InChI=1S/C23H30FN3O2/c24-18-3-1-6-25-20(18)26-7-2-4-22(14-26)5-8-27(21(22)29)23-11-15-9-16(12-23)19(28)17(10-15)13-23/h1,3,6,15-17,19,28H,2,4-5,7-14H2/t15?,16?,17?,19?,22-,23?/m1/s1.
What are the key properties of (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 399.51 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-fluoro-2-pyridinyl)-2-(4-hydroxy-1-adamantyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).