6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C25H27N3O2 — CID 176626523

IUPAC6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(N4CC5(COC5)C4)cn3)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-4-6-19(7-5-18)24(2,3)20-8-10-21(11-9-20)30-23-13-26-22(12-27-23)28-14-25(15-28)16-29-17-25/h4-13H,14-17H2,1-3H3
InChIKeyCQUIYBWNKRVMIC-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.74
Rot. Bonds5

About 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 176626523) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID176626523
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(N4CC5(COC5)C4)cn3)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-4-6-19(7-5-18)24(2,3)20-8-10-21(11-9-20)30-23-13-26-22(12-27-23)28-14-25(15-28)16-29-17-25/h4-13H,14-17H2,1-3H3
InChIKeyCQUIYBWNKRVMIC-UHFFFAOYSA-N
XLogP4.74
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176625631
6-[5-fluoro-6-[1-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]ethyl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176626360
6-[5-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176626339
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
CID 176625736
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
tert-butyl N-[3-[4-[2-[4-[5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-2-yl]oxyphenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
CID 175849399
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
ethane;2-[4-(5-methylpyrazin-2-yl)oxyphenyl]propan-2-ol
CID 177219448
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 176626523) is 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane is Cc1ccc(C(C)(C)c2ccc(Oc3cnc(N4CC5(COC5)C4)cn3)cc2)cc1.
What is the InChIKey of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is CQUIYBWNKRVMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-4-6-19(7-5-18)24(2,3)20-8-10-21(11-9-20)30-23-13-26-22(12-27-23)28-14-25(15-28)16-29-17-25/h4-13H,14-17H2,1-3H3.
What are the key properties of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 401.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 176626523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).