(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

C17H23ClN4O2 — CID 58653536

IUPAC(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CC[C@@]12CCCN(c1nccnc1Cl)C2
InChIInChI=1S/C17H23ClN4O2/c18-14-15(20-7-6-19-14)21-8-1-4-17(12-21)5-9-22(16(17)23)13-2-10-24-11-3-13/h6-7,13H,1-5,8-12H2/t17-/m1/s1
InChIKeyMCCMRWYZEUXXFE-QGZVFWFLSA-N
MW350.85 g/mol
LogP2.13
Rot. Bonds2

About (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 58653536) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID58653536
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCOCC2)CC[C@@]12CCCN(c1nccnc1Cl)C2
InChIInChI=1S/C17H23ClN4O2/c18-14-15(20-7-6-19-14)21-8-1-4-17(12-21)5-9-22(16(17)23)13-2-10-24-11-3-13/h6-7,13H,1-5,8-12H2/t17-/m1/s1
InChIKeyMCCMRWYZEUXXFE-QGZVFWFLSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one (CID 58653536) is (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is O=C1N(C2CCOCC2)CC[C@@]12CCCN(c1nccnc1Cl)C2.
What is the InChIKey of (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is MCCMRWYZEUXXFE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c18-14-15(20-7-6-19-14)21-8-1-4-17(12-21)5-9-22(16(17)23)13-2-10-24-11-3-13/h6-7,13H,1-5,8-12H2/t17-/m1/s1.
What are the key properties of (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 350.85 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-chloropyrazin-2-yl)-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 58653536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).