methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate

C24H20N4O4 — CID 166620043

IUPACmethyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c1
InChIInChI=1S/C24H20N4O4/c1-32-22(30)17-11-16(13-26-14-17)21(29)28-10-8-24(20(28)15-5-4-9-25-12-15)18-6-2-3-7-19(18)27-23(24)31/h2-7,9,11-14,20H,8,10H2,1H3,(H,27,31)
InChIKeyHWFFYCXFHVVXSE-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.74
Rot. Bonds3

About methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate

methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate (PubChem CID 166620043) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate
PubChem CID166620043
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Namemethyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c1
InChIInChI=1S/C24H20N4O4/c1-32-22(30)17-11-16(13-26-14-17)21(29)28-10-8-24(20(28)15-5-4-9-25-12-15)18-6-2-3-7-19(18)27-23(24)31/h2-7,9,11-14,20H,8,10H2,1H3,(H,27,31)
InChIKeyHWFFYCXFHVVXSE-UHFFFAOYSA-N
XLogP2.74
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate with MolForge

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Related Compounds

1'-(2,6-dimethylpyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615130
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613092
1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622722
formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171325696
1'-(4-methylpyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618568
1'-(2,5-dimethyl-1H-imidazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613087
1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620031
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1'-(2-methyl-1,3-oxazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614621
1'-[2-(dimethylamino)pyridine-3-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620776
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324963

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate (CID 166620043) is methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate is COC(=O)c1cncc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)c1.
What is the InChIKey of methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate?
The InChIKey is HWFFYCXFHVVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-32-22(30)17-11-16(13-26-14-17)21(29)28-10-8-24(20(28)15-5-4-9-25-12-15)18-6-2-3-7-19(18)27-23(24)31/h2-7,9,11-14,20H,8,10H2,1H3,(H,27,31).
What are the key properties of methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate?
methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate has a molecular weight of 428.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate is sourced from PubChem (CID 166620043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).