2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C20H28N6O2 — CID 70728447

IUPAC2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CC1CCCO1
InChIInChI=1S/C20H28N6O2/c27-18-4-5-20(15-25(18)13-16-3-1-12-28-16)6-10-24(11-7-20)14-17-22-19-21-8-2-9-26(19)23-17/h2,8-9,16H,1,3-7,10-15H2
InChIKeyAOZMNPPKPIULPQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.51
Rot. Bonds4

About 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70728447) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70728447
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CC1CCCO1
InChIInChI=1S/C20H28N6O2/c27-18-4-5-20(15-25(18)13-16-3-1-12-28-16)6-10-24(11-7-20)14-17-22-19-21-8-2-9-26(19)23-17/h2,8-9,16H,1,3-7,10-15H2
InChIKeyAOZMNPPKPIULPQ-UHFFFAOYSA-N
XLogP1.51
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-([1,2,4]Triazolo[1,5-a]pyrimidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 72925259
Ethyl 1-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carbonyl)piperidine-3-carboxylate
CID 134796775
N-(2-morpholin-4-ylethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134798454
(4-(2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(tetrahydrofuran-2-yl)methanone
CID 45502398
[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 51867950
[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51867951
2-Ethyl-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707768
2-(2-Hydroxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70725485
2-(3-Methoxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70726262
2-(Cyclopropylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70754110
2-(3-Hydroxypropyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765957
2-(2-Methoxyethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70768193

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70728447) is 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3nc4ncccn4n3)CC2)CN1CC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is AOZMNPPKPIULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-18-4-5-20(15-25(18)13-16-3-1-12-28-16)6-10-24(11-7-20)14-17-22-19-21-8-2-9-26(19)23-17/h2,8-9,16H,1,3-7,10-15H2.
What are the key properties of 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 384.48 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-9-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70728447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).