[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

C25H26N4O — CID 3233641

IUPAC[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1
InChIInChI=1S/C25H26N4O/c30-24(23-17-26-12-13-27-23)29-14-5-10-25(19-29)11-15-28(18-25)22-9-4-8-21(16-22)20-6-2-1-3-7-20/h1-4,6-9,12-13,16-17H,5,10-11,14-15,18-19H2/t25-/m0/s1
InChIKeyYEYLNZGNOUNHSC-VWLOTQADSA-N
MW398.51 g/mol
LogP4.28
Rot. Bonds3

About [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone

[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (PubChem CID 3233641) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
PubChem CID3233641
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1
InChIInChI=1S/C25H26N4O/c30-24(23-17-26-12-13-27-23)29-14-5-10-25(19-29)11-15-28(18-25)22-9-4-8-21(16-22)20-6-2-1-3-7-20/h1-4,6-9,12-13,16-17H,5,10-11,14-15,18-19H2/t25-/m0/s1
InChIKeyYEYLNZGNOUNHSC-VWLOTQADSA-N
XLogP4.28
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (CID 3233641) is [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1.
What is the InChIKey of [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is YEYLNZGNOUNHSC-VWLOTQADSA-N. The full InChI is InChI=1S/C25H26N4O/c30-24(23-17-26-12-13-27-23)29-14-5-10-25(19-29)11-15-28(18-25)22-9-4-8-21(16-22)20-6-2-1-3-7-20/h1-4,6-9,12-13,16-17H,5,10-11,14-15,18-19H2/t25-/m0/s1.
What are the key properties of [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
[(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 398.51 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-(3-phenylphenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 3233641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).