1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C21H27N5O2 — CID 163311205

IUPAC1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nn(C)cc1CC(=O)N1CCCC12CCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C21H27N5O2/c1-16-17(14-24(2)23-16)13-19(27)26-12-6-9-21(26)8-5-11-25(20(21)28)15-18-7-3-4-10-22-18/h3-4,7,10,14H,5-6,8-9,11-13,15H2,1-2H3
InChIKeyXPEHIXQXATYBGM-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.85
Rot. Bonds4

About 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163311205) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163311205
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nn(C)cc1CC(=O)N1CCCC12CCCN(Cc1ccccn1)C2=O
InChIInChI=1S/C21H27N5O2/c1-16-17(14-24(2)23-16)13-19(27)26-12-6-9-21(26)8-5-11-25(20(21)28)15-18-7-3-4-10-22-18/h3-4,7,10,14H,5-6,8-9,11-13,15H2,1-2H3
InChIKeyXPEHIXQXATYBGM-UHFFFAOYSA-N
XLogP1.85
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-1,3-thiazole-4-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627802
1-(3-pyrazin-2-ylpropanoyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164692870
1-(6-oxo-1H-pyrazine-3-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015414
1-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313841
1-benzyl-8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140755
9-propyl-1-[2-[2-(trifluoromethyl)phenyl]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628852
9-(2-hydroxyethyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633347
1-[(3-chloro-4-pyridinyl)methyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626574
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629688
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
1-(1H-imidazol-5-ylmethyl)-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162634959
1-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316192

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163311205) is 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1nn(C)cc1CC(=O)N1CCCC12CCCN(Cc1ccccn1)C2=O.
What is the InChIKey of 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is XPEHIXQXATYBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-17(14-24(2)23-16)13-19(27)26-12-6-9-21(26)8-5-11-25(20(21)28)15-18-7-3-4-10-22-18/h3-4,7,10,14H,5-6,8-9,11-13,15H2,1-2H3.
What are the key properties of 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 381.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dimethylpyrazol-4-yl)acetyl]-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163311205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).