(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H24N6O2 — CID 166618955

IUPAC(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc([C@@H]2N(C(=O)CCc3ccnn3C)CC[C@]23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C22H24N6O2/c1-26-14-15(13-24-26)20-22(17-5-3-4-6-18(17)25-21(22)30)10-12-28(20)19(29)8-7-16-9-11-23-27(16)2/h3-6,9,11,13-14,20H,7-8,10,12H2,1-2H3,(H,25,30)/t20-,22+/m0/s1
InChIKeyLXAFWVOTZQPJOA-RBBKRZOGSA-N
MW404.47 g/mol
LogP1.95
Rot. Bonds4

About (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166618955) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166618955
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc([C@@H]2N(C(=O)CCc3ccnn3C)CC[C@]23C(=O)Nc2ccccc23)cn1
InChIInChI=1S/C22H24N6O2/c1-26-14-15(13-24-26)20-22(17-5-3-4-6-18(17)25-21(22)30)10-12-28(20)19(29)8-7-16-9-11-23-27(16)2/h3-6,9,11,13-14,20H,7-8,10,12H2,1-2H3,(H,25,30)/t20-,22+/m0/s1
InChIKeyLXAFWVOTZQPJOA-RBBKRZOGSA-N
XLogP1.95
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one with MolForge

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Related Compounds

1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
CID 166612735
methyl 5-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-5-oxopentanoate
CID 166614253
(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)-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-(2-oxoazepan-1-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623015
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'-(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
1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619418
1'-(cyclohexanecarbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322445

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (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) is (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1cc([C@@H]2N(C(=O)CCc3ccnn3C)CC[C@]23C(=O)Nc2ccccc23)cn1.
What is the InChIKey of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LXAFWVOTZQPJOA-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-26-14-15(13-24-26)20-22(17-5-3-4-6-18(17)25-21(22)30)10-12-28(20)19(29)8-7-16-9-11-23-27(16)2/h3-6,9,11,13-14,20H,7-8,10,12H2,1-2H3,(H,25,30)/t20-,22+/m0/s1.
What are the key properties of (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 404.47 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[3-(2-methylpyrazol-3-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166618955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).