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

C17H26N4O — CID 3235077

IUPAC[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C17H26N4O/c1-14(2)11-20-9-5-17(12-20)4-3-8-21(13-17)16(22)15-10-18-6-7-19-15/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyICMSXGFNVFNCDB-KRWDZBQOSA-N
MW302.42 g/mol
LogP2.06
Rot. Bonds3

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

[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (PubChem CID 3235077) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
PubChem CID3235077
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
InChIInChI=1S/C17H26N4O/c1-14(2)11-20-9-5-17(12-20)4-3-8-21(13-17)16(22)15-10-18-6-7-19-15/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyICMSXGFNVFNCDB-KRWDZBQOSA-N
XLogP2.06
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone (CID 3235077) is [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is CC(C)CN1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1.
What is the InChIKey of [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is ICMSXGFNVFNCDB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14(2)11-20-9-5-17(12-20)4-3-8-21(13-17)16(22)15-10-18-6-7-19-15/h6-7,10,14H,3-5,8-9,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone?
[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 302.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 3235077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).