[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

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Related Compounds

(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
CID 120638264
6-azaspiro[3.4]octan-6-yl-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 100903578
(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 158377073
(2R)-2,4-dihydroxy-3,3-dimethyl-1-[1-methyl-4-(8-oxa-2-azaspiro[4.5]decane-2-carbonyl)pyrrol-2-yl]butan-1-one
CID 164595799
[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 164595817
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 71862158
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
(5S)-7-(5-methyl-1,2-oxazole-4-carbonyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97399123
(3-methylbenzimidazol-4-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 128651253
2-fluoro-6-(1-methylpyrazol-4-yl)benzoic acid
CID 114560297

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).