2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one

C32H37N5O5 — CID 58762340

IUPAC2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
SMILESCc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(OCc5c(C)noc5C)cc4)(C4CCCC4)OC3=O)nc2n1
InChIInChI=1S/C32H37N5O5/c1-19-15-20(2)37-31(33-19)34-29(35-37)16-26-28(38)17-32(41-30(26)39,24-7-5-6-8-24)14-13-23-9-11-25(12-10-23)40-18-27-21(3)36-42-22(27)4/h9-12,15,24,38H,5-8,13-14,16-18H2,1-4H3
InChIKeyARWBDEYAKMKRJN-UHFFFAOYSA-N
MW571.68 g/mol
LogP5.79
Rot. Bonds9

About 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one

2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one (PubChem CID 58762340) has the molecular formula C32H37N5O5 and a molecular weight of 571.68 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
PubChem CID58762340
Molecular FormulaC32H37N5O5
Molecular Weight571.68 g/mol
Exact Mass571.28
IUPAC Name2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one
SMILESCc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(OCc5c(C)noc5C)cc4)(C4CCCC4)OC3=O)nc2n1
InChIInChI=1S/C32H37N5O5/c1-19-15-20(2)37-31(33-19)34-29(35-37)16-26-28(38)17-32(41-30(26)39,24-7-5-6-8-24)14-13-23-9-11-25(12-10-23)40-18-27-21(3)36-42-22(27)4/h9-12,15,24,38H,5-8,13-14,16-18H2,1-4H3
InChIKeyARWBDEYAKMKRJN-UHFFFAOYSA-N
XLogP5.79
TPSA124.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one?
The IUPAC name of 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one (CID 58762340) is 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one.
What is the SMILES notation for 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one?
The canonical SMILES for 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one is Cc1cc(C)n2nc(CC3=C(O)CC(CCc4ccc(OCc5c(C)noc5C)cc4)(C4CCCC4)OC3=O)nc2n1.
What is the InChIKey of 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one?
The InChIKey is ARWBDEYAKMKRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O5/c1-19-15-20(2)37-31(33-19)34-29(35-37)16-26-28(38)17-32(41-30(26)39,24-7-5-6-8-24)14-13-23-9-11-25(12-10-23)40-18-27-21(3)36-42-22(27)4/h9-12,15,24,38H,5-8,13-14,16-18H2,1-4H3.
What are the key properties of 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one?
2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one has a molecular weight of 571.68 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]ethyl]-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-3H-pyran-6-one is sourced from PubChem (CID 58762340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).