5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione

C23H28N4O4 — CID 157017676

IUPAC5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC3(C2)C(=O)N(CCC(C)C)c2ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O4/c1-15(2)8-10-27-18-7-5-4-6-17(18)23(21(27)30)9-11-25(14-23)19(28)13-26-12-16(3)20(29)24-22(26)31/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,29,31)
InChIKeyCPAHAZCFUJDAKU-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.41
Rot. Bonds5

About 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione

5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 157017676) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID157017676
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC3(C2)C(=O)N(CCC(C)C)c2ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O4/c1-15(2)8-10-27-18-7-5-4-6-17(18)23(21(27)30)9-11-25(14-23)19(28)13-26-12-16(3)20(29)24-22(26)31/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,29,31)
InChIKeyCPAHAZCFUJDAKU-UHFFFAOYSA-N
XLogP1.41
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018992
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
5-methyl-1-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 72875718
N-[2-[1-(2-methylpropyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]benzamide
CID 157015540
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 139598835
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
(3R)-1'-[(1R,2R)-2-methylcyclopropanecarbonyl]-1-(2-methylpropyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 124825124
1'-[2-(4-fluorophenyl)acetyl]-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134795624
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70733083
1'-butanoyl-1-methylspiro[indole-3,3'-pyrrolidine]-2-one
CID 53177130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 157017676) is 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC3(C2)C(=O)N(CCC(C)C)c2ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is CPAHAZCFUJDAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-15(2)8-10-27-18-7-5-4-6-17(18)23(21(27)30)9-11-25(14-23)19(28)13-26-12-16(3)20(29)24-22(26)31/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,24,29,31).
What are the key properties of 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 424.50 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[1-(3-methylbutyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 157017676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).