2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile

C21H27FN4O — CID 118370054

IUPAC2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile
SMILESN#CCC1CCC(N2CC[C@@]3(CCCN(c4cccc(F)n4)C3)C2=O)CC1
InChIInChI=1S/C21H27FN4O/c22-18-3-1-4-19(24-18)25-13-2-10-21(15-25)11-14-26(20(21)27)17-7-5-16(6-8-17)9-12-23/h1,3-4,16-17H,2,5-11,13-15H2/t16?,17?,21-/m1/s1
InChIKeyTZHNIYGLBAQTIQ-MYKUNDNFSA-N
MW370.47 g/mol
LogP3.51
Rot. Bonds3

About 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile

2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile (PubChem CID 118370054) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile
PubChem CID118370054
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile
SMILESN#CCC1CCC(N2CC[C@@]3(CCCN(c4cccc(F)n4)C3)C2=O)CC1
InChIInChI=1S/C21H27FN4O/c22-18-3-1-4-19(24-18)25-13-2-10-21(15-25)11-14-26(20(21)27)17-7-5-16(6-8-17)9-12-23/h1,3-4,16-17H,2,5-11,13-15H2/t16?,17?,21-/m1/s1
InChIKeyTZHNIYGLBAQTIQ-MYKUNDNFSA-N
XLogP3.51
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile
CID 118370045
8-(6-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
CID 16739588
6-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylic acid
CID 72854969
6-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-N-methylpyridine-2-carboxamide
CID 72885425
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
7-cyclopentyl-2-pyridazin-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 86283608
9-(2,3-difluorophenyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722474
(5R)-2-(oxan-4-yl)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 173174985
6-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carbonitrile
CID 97155364
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
6-[(5S)-7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid
CID 97122101
(5R)-2-(4-hydroxycyclohexyl)-9-[5-(hydroxymethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-1-one
CID 58653425

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile (CID 118370054) is 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile is N#CCC1CCC(N2CC[C@@]3(CCCN(c4cccc(F)n4)C3)C2=O)CC1.
What is the InChIKey of 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile?
The InChIKey is TZHNIYGLBAQTIQ-MYKUNDNFSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-3-1-4-19(24-18)25-13-2-10-21(15-25)11-14-26(20(21)27)17-7-5-16(6-8-17)9-12-23/h1,3-4,16-17H,2,5-11,13-15H2/t16?,17?,21-/m1/s1.
What are the key properties of 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile?
2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile has a molecular weight of 370.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5R)-9-(6-fluoro-2-pyridinyl)-1-oxo-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]acetonitrile is sourced from PubChem (CID 118370054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).