1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C24H23N5O3 — CID 166616771

IUPAC1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1nc(C)c(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C24H23N5O3/c1-14-17(22(31)27-15(2)26-14)12-20(30)29-11-9-24(21(29)16-6-5-10-25-13-16)18-7-3-4-8-19(18)28-23(24)32/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,28,32)(H,26,27,31)
InChIKeyWNUWXENBFNRLLI-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.19
Rot. Bonds3

About 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166616771) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166616771
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1nc(C)c(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c(=O)[nH]1
InChIInChI=1S/C24H23N5O3/c1-14-17(22(31)27-15(2)26-14)12-20(30)29-11-9-24(21(29)16-6-5-10-25-13-16)18-7-3-4-8-19(18)28-23(24)32/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,28,32)(H,26,27,31)
InChIKeyWNUWXENBFNRLLI-UHFFFAOYSA-N
XLogP2.19
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2,5-dimethyl-1H-imidazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613087
5-methyl-1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]pyrimidine-2,4-dione
CID 166621818
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1'-(2,6-dimethylpyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615130
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]propanamide
CID 166612704
1'-(4-methylpyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618568
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166616771) is 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1nc(C)c(CC(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c(=O)[nH]1.
What is the InChIKey of 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WNUWXENBFNRLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-17(22(31)27-15(2)26-14)12-20(30)29-11-9-24(21(29)16-6-5-10-25-13-16)18-7-3-4-8-19(18)28-23(24)32/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,28,32)(H,26,27,31).
What are the key properties of 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166616771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).