[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone

C20H28N6O2 — CID 87051812

IUPAC[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CC(c3nc(C4CC4)no3)C3(CCN(C)CC3)C2)n1
InChIInChI=1S/C20H28N6O2/c1-3-26-9-6-16(22-26)19(27)25-12-15(18-21-17(23-28-18)14-4-5-14)20(13-25)7-10-24(2)11-8-20/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3
InChIKeySINMNKQQLCHDBN-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.12
Rot. Bonds4

About [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone

[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone (PubChem CID 87051812) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone
PubChem CID87051812
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone
SMILESCCn1ccc(C(=O)N2CC(c3nc(C4CC4)no3)C3(CCN(C)CC3)C2)n1
InChIInChI=1S/C20H28N6O2/c1-3-26-9-6-16(22-26)19(27)25-12-15(18-21-17(23-28-18)14-4-5-14)20(13-25)7-10-24(2)11-8-20/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3
InChIKeySINMNKQQLCHDBN-UHFFFAOYSA-N
XLogP2.12
TPSA80.29 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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone (CID 87051812) is [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone is CCn1ccc(C(=O)N2CC(c3nc(C4CC4)no3)C3(CCN(C)CC3)C2)n1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone?
The InChIKey is SINMNKQQLCHDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-3-26-9-6-16(22-26)19(27)25-12-15(18-21-17(23-28-18)14-4-5-14)20(13-25)7-10-24(2)11-8-20/h6,9,14-15H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone?
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-(1-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 87051812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).