1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

C22H32N6O2 — CID 87051809

IUPAC1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(c3nc(C4CC4)no3)C3(CCN(C)CC3)C2)n1
InChIInChI=1S/C22H32N6O2/c1-15-12-16(2)28(24-15)9-6-19(29)27-13-18(21-23-20(25-30-21)17-4-5-17)22(14-27)7-10-26(3)11-8-22/h12,17-18H,4-11,13-14H2,1-3H3
InChIKeyQAYMMUQMORCESF-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.49
Rot. Bonds5

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

1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 87051809) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID87051809
Molecular FormulaC22H32N6O2
Molecular Weight412.54 g/mol
Exact Mass412.26
IUPAC Name1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(c3nc(C4CC4)no3)C3(CCN(C)CC3)C2)n1
InChIInChI=1S/C22H32N6O2/c1-15-12-16(2)28(24-15)9-6-19(29)27-13-18(21-23-20(25-30-21)17-4-5-17)22(14-27)7-10-26(3)11-8-22/h12,17-18H,4-11,13-14H2,1-3H3
InChIKeyQAYMMUQMORCESF-UHFFFAOYSA-N
XLogP2.49
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 87051809) is 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2CC(c3nc(C4CC4)no3)C3(CCN(C)CC3)C2)n1.
What is the InChIKey of 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is QAYMMUQMORCESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O2/c1-15-12-16(2)28(24-15)9-6-19(29)27-13-18(21-23-20(25-30-21)17-4-5-17)22(14-27)7-10-26(3)11-8-22/h12,17-18H,4-11,13-14H2,1-3H3.
What are the key properties of 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 412.54 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-8-methyl-2,8-diazaspiro[4.5]decan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 87051809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).