1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H20N6O2 — CID 166613772

IUPAC1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)c3ccnn3C)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C20H20N6O2/c1-24-12-13(11-22-24)17-20(14-5-3-4-6-15(14)23-19(20)28)8-10-26(17)18(27)16-7-9-21-25(16)2/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,23,28)
InChIKeyFXSIFLOAWZSQDK-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.63
Rot. Bonds2

About 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613772) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613772
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)c3ccnn3C)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C20H20N6O2/c1-24-12-13(11-22-24)17-20(14-5-3-4-6-15(14)23-19(20)28)8-10-26(17)18(27)16-7-9-21-25(16)2/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,23,28)
InChIKeyFXSIFLOAWZSQDK-UHFFFAOYSA-N
XLogP1.63
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2'S,3R)-1'-acetyl-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615777
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618955
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612718
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619418
2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615505
1'-(4-chloro-1,3-dimethylpyrazole-5-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615974
(2'S,3R)-1'-(5-chloropyridine-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619982
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-(2-pyrazol-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619612
(2'S,3R)-1'-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622388
1'-(4-chloro-3-hydroxybenzoyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618576
1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624374
(2'S,3R)-1'-(5-methylimidazo[1,2-a]pyridine-2-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616143

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613772) is 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1cc(C2N(C(=O)c3ccnn3C)CCC23C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is FXSIFLOAWZSQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-24-12-13(11-22-24)17-20(14-5-3-4-6-15(14)23-19(20)28)8-10-26(17)18(27)16-7-9-21-25(16)2/h3-7,9,11-12,17H,8,10H2,1-2H3,(H,23,28).
What are the key properties of 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 376.42 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).