N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

C29H30N6O2 — CID 3630585

IUPACN-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Cn1ccc(-c2ccncc2)n1)N1CCC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1
InChIInChI=1S/C29H30N6O2/c36-27(20-35-16-10-25(32-35)23-8-14-30-15-9-23)34-19-13-29(21-34)11-17-33(18-12-29)28(37)31-26-7-3-5-22-4-1-2-6-24(22)26/h1-10,14-16H,11-13,17-21H2,(H,31,37)
InChIKeyLHKYAHPQZLGRNA-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.64
Rot. Bonds4

About N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide

N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 3630585) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID3630585
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C(Cn1ccc(-c2ccncc2)n1)N1CCC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1
InChIInChI=1S/C29H30N6O2/c36-27(20-35-16-10-25(32-35)23-8-14-30-15-9-23)34-19-13-29(21-34)11-17-33(18-12-29)28(37)31-26-7-3-5-22-4-1-2-6-24(22)26/h1-10,14-16H,11-13,17-21H2,(H,31,37)
InChIKeyLHKYAHPQZLGRNA-UHFFFAOYSA-N
XLogP4.64
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
CID 3801745
N-(2-methoxyphenyl)-2-[2-[3-(3-nitrophenyl)pyrazol-1-yl]acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3721950
2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3684554
1-[8-(2,5-dimethylphenyl)sulfonyl-2,8-diazaspiro[4.5]decan-2-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
CID 3741679
2-[2-(4-chlorophenyl)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3823471
N-naphthalen-1-yl-2-[5-(2-phenylethynyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3644025
N-naphthalen-1-yl-2-[(1R,2S,3S,4S,6R)-5-oxotricyclo[2.2.1.02,6]heptane-3-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74228686
2-[2-(4-methoxyphenoxy)propanoyl]-N-naphthalen-1-yl-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3578565
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
N-naphthalen-1-yl-2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 3679272
2-(3-pyridin-4-ylpyrazol-1-yl)acetic acid
CID 121211807

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 3630585) is N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is O=C(Cn1ccc(-c2ccncc2)n1)N1CCC2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1.
What is the InChIKey of N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is LHKYAHPQZLGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c36-27(20-35-16-10-25(32-35)23-8-14-30-15-9-23)34-19-13-29(21-34)11-17-33(18-12-29)28(37)31-26-7-3-5-22-4-1-2-6-24(22)26/h1-10,14-16H,11-13,17-21H2,(H,31,37).
What are the key properties of N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[2-(3-pyridin-4-ylpyrazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 3630585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).