3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

C23H28N6O3 — CID 91924681

IUPAC3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(c3nnc(-c4ccncc4)o3)C3(CCOCC3)C2)n1
InChIInChI=1S/C23H28N6O3/c1-16-13-17(2)29(27-16)10-5-20(30)28-14-19(23(15-28)6-11-31-12-7-23)22-26-25-21(32-22)18-3-8-24-9-4-18/h3-4,8-9,13,19H,5-7,10-12,14-15H2,1-2H3
InChIKeyAVQOFFCVLPZSTM-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.76
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one

3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (PubChem CID 91924681) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
PubChem CID91924681
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CC(c3nnc(-c4ccncc4)o3)C3(CCOCC3)C2)n1
InChIInChI=1S/C23H28N6O3/c1-16-13-17(2)29(27-16)10-5-20(30)28-14-19(23(15-28)6-11-31-12-7-23)22-26-25-21(32-22)18-3-8-24-9-4-18/h3-4,8-9,13,19H,5-7,10-12,14-15H2,1-2H3
InChIKeyAVQOFFCVLPZSTM-UHFFFAOYSA-N
XLogP2.76
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one (CID 91924681) is 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is Cc1cc(C)n(CCC(=O)N2CC(c3nnc(-c4ccncc4)o3)C3(CCOCC3)C2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
The InChIKey is AVQOFFCVLPZSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16-13-17(2)29(27-16)10-5-20(30)28-14-19(23(15-28)6-11-31-12-7-23)22-26-25-21(32-22)18-3-8-24-9-4-18/h3-4,8-9,13,19H,5-7,10-12,14-15H2,1-2H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one?
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one has a molecular weight of 436.52 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-1-[4-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one is sourced from PubChem (CID 91924681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).