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

C20H20N6O2 — CID 166614143

IUPAC1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)Cn3ccnc3)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C20H20N6O2/c1-24-11-14(10-22-24)18-20(15-4-2-3-5-16(15)23-19(20)28)6-8-26(18)17(27)12-25-9-7-21-13-25/h2-5,7,9-11,13,18H,6,8,12H2,1H3,(H,23,28)
InChIKeyXVOQHLSCGDGIPI-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.48
Rot. Bonds3

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

1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166614143) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166614143
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(C2N(C(=O)Cn3ccnc3)CCC23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C20H20N6O2/c1-24-11-14(10-22-24)18-20(15-4-2-3-5-16(15)23-19(20)28)6-8-26(18)17(27)12-25-9-7-21-13-25/h2-5,7,9-11,13,18H,6,8,12H2,1H3,(H,23,28)
InChIKeyXVOQHLSCGDGIPI-UHFFFAOYSA-N
XLogP1.48
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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'-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'-[2-(2-oxoazepan-1-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623015
(2'S,3R)-1'-[2-(1-methylpiperidin-4-yl)acetyl]-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621450
(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
N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
CID 166612735
1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
methyl 5-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-5-oxopentanoate
CID 166614253
2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615505
(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'-(3-methylpyridine-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612718
formic acid;(2'S,3R)-1'-[2-(5-methyl-1H-imidazol-4-yl)acetyl]-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171709606

Frequently Asked Questions

What is the IUPAC name of 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166614143) is 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1cc(C2N(C(=O)Cn3ccnc3)CCC23C(=O)Nc2ccccc23)cn1.
What is the InChIKey of 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XVOQHLSCGDGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-24-11-14(10-22-24)18-20(15-4-2-3-5-16(15)23-19(20)28)6-8-26(18)17(27)12-25-9-7-21-13-25/h2-5,7,9-11,13,18H,6,8,12H2,1H3,(H,23,28).
What are the key properties of 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 376.42 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166614143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).