2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

C22H26N4O — CID 72869821

IUPAC2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(c2ccccc2)CC2(CCN(c3cnccn3)CC2)CN1C1CC1
InChIInChI=1S/C22H26N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)20-15-23-10-11-24-20/h1-5,10-11,15,18-19H,6-9,12-14,16H2
InChIKeyPSAMADJJZNFLOF-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.24
Rot. Bonds3

About 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72869821) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72869821
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(c2ccccc2)CC2(CCN(c3cnccn3)CC2)CN1C1CC1
InChIInChI=1S/C22H26N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)20-15-23-10-11-24-20/h1-5,10-11,15,18-19H,6-9,12-14,16H2
InChIKeyPSAMADJJZNFLOF-UHFFFAOYSA-N
XLogP3.24
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one (CID 72869821) is 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is O=C1C(c2ccccc2)CC2(CCN(c3cnccn3)CC2)CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is PSAMADJJZNFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)20-15-23-10-11-24-20/h1-5,10-11,15,18-19H,6-9,12-14,16H2.
What are the key properties of 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72869821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).