7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one

C23H30N4O3 — CID 175640738

IUPAC7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)C2)C1=O
InChIInChI=1S/C23H30N4O3/c1-17-20(18(2)27(24-17)19-7-5-4-6-8-19)15-21(28)26-12-10-23(16-26)9-11-25(22(23)29)13-14-30-3/h4-8H,9-16H2,1-3H3
InChIKeyORGFAWAKTLJJRZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.13
Rot. Bonds6

About 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175640738) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175640738
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)C2)C1=O
InChIInChI=1S/C23H30N4O3/c1-17-20(18(2)27(24-17)19-7-5-4-6-8-19)15-21(28)26-12-10-23(16-26)9-11-25(22(23)29)13-14-30-3/h4-8H,9-16H2,1-3H3
InChIKeyORGFAWAKTLJJRZ-UHFFFAOYSA-N
XLogP2.13
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124698663
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
(5S)-2-[2-(2-ethoxyphenyl)acetyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97137107
7-[3-(1,3-benzothiazol-2-yl)propanoyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646330
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 29196845
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 133138621
7-(2-methoxyethyl)-2-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226456
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044
2-(2-methoxyethyl)-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370193
1-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258314

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175640738) is 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CCN(C(=O)Cc3c(C)nn(-c4ccccc4)c3C)C2)C1=O.
What is the InChIKey of 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ORGFAWAKTLJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17-20(18(2)27(24-17)19-7-5-4-6-8-19)15-21(28)26-12-10-23(16-26)9-11-25(22(23)29)13-14-30-3/h4-8H,9-16H2,1-3H3.
What are the key properties of 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 410.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175640738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).