[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C18H25N5O3 — CID 154564909

IUPAC[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3nc4ncccn4n3)CC2)O1
InChIInChI=1S/C18H25N5O3/c1-12(2)14-10-13(24)11-18(26-14)4-8-22(9-5-18)16(25)15-20-17-19-6-3-7-23(17)21-15/h3,6-7,12-14,24H,4-5,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyGXBAQIGPMCEYED-ZIAGYGMSSA-N
MW359.43 g/mol
LogP1.29
Rot. Bonds2

About [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 154564909) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID154564909
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3nc4ncccn4n3)CC2)O1
InChIInChI=1S/C18H25N5O3/c1-12(2)14-10-13(24)11-18(26-14)4-8-22(9-5-18)16(25)15-20-17-19-6-3-7-23(17)21-15/h3,6-7,12-14,24H,4-5,8-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyGXBAQIGPMCEYED-ZIAGYGMSSA-N
XLogP1.29
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 154564909) is [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is CC(C)[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3nc4ncccn4n3)CC2)O1.
What is the InChIKey of [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is GXBAQIGPMCEYED-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12(2)14-10-13(24)11-18(26-14)4-8-22(9-5-18)16(25)15-20-17-19-6-3-7-23(17)21-15/h3,6-7,12-14,24H,4-5,8-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 154564909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).