(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H24N4O2 — CID 166619328

IUPAC(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cnn(CC)c2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H24N4O2/c1-3-7-17-20(15-8-5-6-9-16(15)22-19(20)26)10-11-24(17)18(25)14-12-21-23(4-2)13-14/h5-6,8-9,12-13,17H,3-4,7,10-11H2,1-2H3,(H,22,26)/t17-,20+/m0/s1
InChIKeyALTILCSUKSJFLU-FXAWDEMLSA-N
MW352.44 g/mol
LogP2.81
Rot. Bonds4

About (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166619328) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166619328
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2cnn(CC)c2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H24N4O2/c1-3-7-17-20(15-8-5-6-9-16(15)22-19(20)26)10-11-24(17)18(25)14-12-21-23(4-2)13-14/h5-6,8-9,12-13,17H,3-4,7,10-11H2,1-2H3,(H,22,26)/t17-,20+/m0/s1
InChIKeyALTILCSUKSJFLU-FXAWDEMLSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166619328) is (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2cnn(CC)c2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ALTILCSUKSJFLU-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-7-17-20(15-8-5-6-9-16(15)22-19(20)26)10-11-24(17)18(25)14-12-21-23(4-2)13-14/h5-6,8-9,12-13,17H,3-4,7,10-11H2,1-2H3,(H,22,26)/t17-,20+/m0/s1.
What are the key properties of (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166619328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).