(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H19ClN4O2 — CID 166622342

IUPAC(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(Cl)c(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C22H19ClN4O2/c1-26-13-16(23)18(25-26)20(28)27-12-11-22(19(27)14-7-3-2-4-8-14)15-9-5-6-10-17(15)24-21(22)29/h2-10,13,19H,11-12H2,1H3,(H,24,29)/t19-,22+/m0/s1
InChIKeyXUAYIMFJXZJCNZ-SIKLNZKXSA-N
MW406.87 g/mol
LogP3.55
Rot. Bonds2

About (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622342) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622342
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1cc(Cl)c(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)n1
InChIInChI=1S/C22H19ClN4O2/c1-26-13-16(23)18(25-26)20(28)27-12-11-22(19(27)14-7-3-2-4-8-14)15-9-5-6-10-17(15)24-21(22)29/h2-10,13,19H,11-12H2,1H3,(H,24,29)/t19-,22+/m0/s1
InChIKeyXUAYIMFJXZJCNZ-SIKLNZKXSA-N
XLogP3.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one 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

1'-(4-chloro-3-hydroxybenzoyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618576
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'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613792
(2'S,3R)-1'-(1,2-oxazole-5-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621828
(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
1'-(2-methylpyrazole-3-carbonyl)-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613772
(2'S,3R)-1'-acetyl-2'-(1-methylpyrazol-4-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615777
2'-(1-methylpyrazol-4-yl)-1'-(1,3-thiazole-5-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615505
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624363
1'-(2,5-dimethyl-1H-imidazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613087
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622342) is (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1cc(Cl)c(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2ccccc2)n1.
What is the InChIKey of (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XUAYIMFJXZJCNZ-SIKLNZKXSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-26-13-16(23)18(25-26)20(28)27-12-11-22(19(27)14-7-3-2-4-8-14)15-9-5-6-10-17(15)24-21(22)29/h2-10,13,19H,11-12H2,1H3,(H,24,29)/t19-,22+/m0/s1.
What are the key properties of (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 406.87 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).