[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

C23H25N3O2 — CID 175645883

IUPAC[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCn1cc(-c2cccc3c(C(=O)N4CCC5(CCOCC5)C4)cccc23)cn1
InChIInChI=1S/C23H25N3O2/c1-25-15-17(14-24-25)18-4-2-6-20-19(18)5-3-7-21(20)22(27)26-11-8-23(16-26)9-12-28-13-10-23/h2-7,14-15H,8-13,16H2,1H3
InChIKeyXJZIQNZRQXZADI-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.88
Rot. Bonds2

About [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 175645883) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID175645883
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESCn1cc(-c2cccc3c(C(=O)N4CCC5(CCOCC5)C4)cccc23)cn1
InChIInChI=1S/C23H25N3O2/c1-25-15-17(14-24-25)18-4-2-6-20-19(18)5-3-7-21(20)22(27)26-11-8-23(16-26)9-12-28-13-10-23/h2-7,14-15H,8-13,16H2,1H3
InChIKeyXJZIQNZRQXZADI-UHFFFAOYSA-N
XLogP3.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (CID 175645883) is [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is Cn1cc(-c2cccc3c(C(=O)N4CCC5(CCOCC5)C4)cccc23)cn1.
What is the InChIKey of [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is XJZIQNZRQXZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25-15-17(14-24-25)18-4-2-6-20-19(18)5-3-7-21(20)22(27)26-11-8-23(16-26)9-12-28-13-10-23/h2-7,14-15H,8-13,16H2,1H3.
What are the key properties of [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 175645883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).