N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide

C20H23N5O3 — CID 166612735

IUPACN-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cnn(C)c1
InChIInChI=1S/C20H23N5O3/c1-13(26)21-9-7-17(27)25-10-8-20(18(25)14-11-22-24(2)12-14)15-5-3-4-6-16(15)23-19(20)28/h3-6,11-12,18H,7-10H2,1-2H3,(H,21,26)(H,23,28)
InChIKeyBXKMWTKRUIOAQX-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.11
Rot. Bonds4

About N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide

N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide (PubChem CID 166612735) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
PubChem CID166612735
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
SMILESCC(=O)NCCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cnn(C)c1
InChIInChI=1S/C20H23N5O3/c1-13(26)21-9-7-17(27)25-10-8-20(18(25)14-11-22-24(2)12-14)15-5-3-4-6-16(15)23-19(20)28/h3-6,11-12,18H,7-10H2,1-2H3,(H,21,26)(H,23,28)
InChIKeyBXKMWTKRUIOAQX-UHFFFAOYSA-N
XLogP1.11
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-5-oxopentanoate
CID 166614253
(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)-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'-(2-pyrazol-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619612
1'-(2-imidazol-1-ylacetyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614143
(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
1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
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
1'-(cyclohexanecarbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322445
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide (CID 166612735) is N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide is CC(=O)NCCC(=O)N1CCC2(C(=O)Nc3ccccc32)C1c1cnn(C)c1.
What is the InChIKey of N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide?
The InChIKey is BXKMWTKRUIOAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13(26)21-9-7-17(27)25-10-8-20(18(25)14-11-22-24(2)12-14)15-5-3-4-6-16(15)23-19(20)28/h3-6,11-12,18H,7-10H2,1-2H3,(H,21,26)(H,23,28).
What are the key properties of N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide?
N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide has a molecular weight of 381.44 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 166612735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).