6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

C21H27N5O2 — CID 154579484

IUPAC6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CC(C(=O)NCc3ccccn3)C3(CCC3)C2)n1
InChIInChI=1S/C21H27N5O2/c1-15-10-16(2)26(24-15)13-19(27)25-12-18(21(14-25)7-5-8-21)20(28)23-11-17-6-3-4-9-22-17/h3-4,6,9-10,18H,5,7-8,11-14H2,1-2H3,(H,23,28)
InChIKeyALDQRBUXFFVFIY-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.84
Rot. Bonds5

About 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579484) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579484
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1cc(C)n(CC(=O)N2CC(C(=O)NCc3ccccn3)C3(CCC3)C2)n1
InChIInChI=1S/C21H27N5O2/c1-15-10-16(2)26(24-15)13-19(27)25-12-18(21(14-25)7-5-8-21)20(28)23-11-17-6-3-4-9-22-17/h3-4,6,9-10,18H,5,7-8,11-14H2,1-2H3,(H,23,28)
InChIKeyALDQRBUXFFVFIY-UHFFFAOYSA-N
XLogP1.84
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide with MolForge

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Related Compounds

6-[2-(2-chlorophenyl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579463
6-N-cyclohexyl-8-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-6,8-dicarboxamide
CID 155880870
6-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 155881492
2-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-ethyl-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]ethanone
CID 146068146
(4S)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
CID 95105965
6-[2-(3-methoxyphenyl)acetyl]-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579491
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R)-4-methyl-3-phenylpiperazin-1-yl]ethanone
CID 124961259
N-[[4-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107915
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
3-(3,5-dimethylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 115572659
N-[[6-[(2S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 125018598
N-[[6-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107821

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579484) is 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is Cc1cc(C)n(CC(=O)N2CC(C(=O)NCc3ccccn3)C3(CCC3)C2)n1.
What is the InChIKey of 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is ALDQRBUXFFVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-15-10-16(2)26(24-15)13-19(27)25-12-18(21(14-25)7-5-8-21)20(28)23-11-17-6-3-4-9-22-17/h3-4,6,9-10,18H,5,7-8,11-14H2,1-2H3,(H,23,28).
What are the key properties of 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-N-(pyridin-2-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).