2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine

C23H31N3O — CID 147911027

IUPAC2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine
SMILESCc1cnc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C23H31N3O/c1-19-16-26-20(17-25-19)8-2-4-10-22(21-9-3-7-14-24-21)13-15-27-23(18-22)11-5-6-12-23/h3,7,9,14,16-17H,2,4-6,8,10-13,15,18H2,1H3/t22-/m1/s1
InChIKeyIGDBMOABPBCBTM-JOCHJYFZSA-N
MW365.52 g/mol
LogP4.95
Rot. Bonds6

About 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine

2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine (PubChem CID 147911027) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine.

Molecular Properties

Compound Name2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine
PubChem CID147911027
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine
SMILESCc1cnc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cn1
InChIInChI=1S/C23H31N3O/c1-19-16-26-20(17-25-19)8-2-4-10-22(21-9-3-7-14-24-21)13-15-27-23(18-22)11-5-6-12-23/h3,7,9,14,16-17H,2,4-6,8,10-13,15,18H2,1H3/t22-/m1/s1
InChIKeyIGDBMOABPBCBTM-JOCHJYFZSA-N
XLogP4.95
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine?
The IUPAC name of 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine (CID 147911027) is 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine.
What is the SMILES notation for 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine?
The canonical SMILES for 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine is Cc1cnc(CCCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cn1.
What is the InChIKey of 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine?
The InChIKey is IGDBMOABPBCBTM-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19-16-26-20(17-25-19)8-2-4-10-22(21-9-3-7-14-24-21)13-15-27-23(18-22)11-5-6-12-23/h3,7,9,14,16-17H,2,4-6,8,10-13,15,18H2,1H3/t22-/m1/s1.
What are the key properties of 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine?
2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine has a molecular weight of 365.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]butyl]pyrazine is sourced from PubChem (CID 147911027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).