1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C25H27N5O2 — CID 166620031

IUPAC1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)n(C(C)(C)C)n1
InChIInChI=1S/C25H27N5O2/c1-16-14-20(30(28-16)24(2,3)4)22(31)29-13-11-25(21(29)17-8-7-12-26-15-17)18-9-5-6-10-19(18)27-23(25)32/h5-10,12,14-15,21H,11,13H2,1-4H3,(H,27,32)
InChIKeyRCZURWQDEQEGIG-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.82
Rot. Bonds2

About 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166620031) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166620031
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)n(C(C)(C)C)n1
InChIInChI=1S/C25H27N5O2/c1-16-14-20(30(28-16)24(2,3)4)22(31)29-13-11-25(21(29)17-8-7-12-26-15-17)18-9-5-6-10-19(18)27-23(25)32/h5-10,12,14-15,21H,11,13H2,1-4H3,(H,27,32)
InChIKeyRCZURWQDEQEGIG-UHFFFAOYSA-N
XLogP3.82
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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'-(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-methyl-1,3-oxazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614621
formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324963
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613092
methyl 5-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-carbonyl)pyridine-3-carboxylate
CID 166620043
1'-[2-(dimethylamino)pyridine-3-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620776
1'-[3-(3-methylpyrazol-1-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614030
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
1'-(1-acetylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165422586
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

Frequently Asked Questions

What is the IUPAC name of 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166620031) is 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2cccnc2)n(C(C)(C)C)n1.
What is the InChIKey of 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RCZURWQDEQEGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-14-20(30(28-16)24(2,3)4)22(31)29-13-11-25(21(29)17-8-7-12-26-15-17)18-9-5-6-10-19(18)27-23(25)32/h5-10,12,14-15,21H,11,13H2,1-4H3,(H,27,32).
What are the key properties of 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 429.52 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-tert-butyl-5-methylpyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166620031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).