3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile

C18H23N5O2 — CID 66722416

IUPAC3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC[C@]2(CCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H23N5O2/c19-12-15-16(21-7-6-20-15)22-8-1-4-18(13-22)5-9-23(17(18)24)14-2-10-25-11-3-14/h6-7,14H,1-5,8-11,13H2/t18-/m0/s1
InChIKeyPNZKQIVDYLHDPY-SFHVURJKSA-N
MW341.42 g/mol
LogP1.35
Rot. Bonds2

About 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile

3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile (PubChem CID 66722416) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
PubChem CID66722416
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC[C@]2(CCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C18H23N5O2/c19-12-15-16(21-7-6-20-15)22-8-1-4-18(13-22)5-9-23(17(18)24)14-2-10-25-11-3-14/h6-7,14H,1-5,8-11,13H2/t18-/m0/s1
InChIKeyPNZKQIVDYLHDPY-SFHVURJKSA-N
XLogP1.35
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,6-dimethylpyrazin-2-yl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72843219
2-(3-methyl-2-pyrazinyl)-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937531
(5S)-7-(cyclobutylmethyl)-2-(3-methylpyrazin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120243
9-(3,6-dimethylpyrazin-2-yl)-2-[(3S)-1-methylpyrrolidin-3-yl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97136804
3-[2-(4-Hydroxycyclohexyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyrazine-2-carbonitrile
CID 16739627
(5S)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970895
(5S)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 57970961
(5R)-9-(3-isocyanopyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653209
(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 58653536
3-[(5R)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile
CID 67503897
(5R)-2-(oxan-4-yl)-9-pyrazin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 141145679
ethane;N-methyl-N-(oxan-4-yl)formamide;3-(3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 143229298

Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile (CID 66722416) is 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC[C@]2(CCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile?
The InChIKey is PNZKQIVDYLHDPY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-12-15-16(21-7-6-20-15)22-8-1-4-18(13-22)5-9-23(17(18)24)14-2-10-25-11-3-14/h6-7,14H,1-5,8-11,13H2/t18-/m0/s1.
What are the key properties of 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile?
3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-2-(oxan-4-yl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 66722416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).