2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

C19H21N5O3 — CID 96581028

IUPAC2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCn1cc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cn1
InChIInChI=1S/C19H21N5O3/c1-2-23-10-13(9-21-23)17(26)22-8-7-19(12-22)14-5-3-4-6-15(14)24(18(19)27)11-16(20)25/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,20,25)/t19-/m1/s1
InChIKeyXMHNKVXJNQXFOG-LJQANCHMSA-N
MW367.41 g/mol
LogP0.52
Rot. Bonds4

About 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide

2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (PubChem CID 96581028) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
PubChem CID96581028
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
SMILESCCn1cc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cn1
InChIInChI=1S/C19H21N5O3/c1-2-23-10-13(9-21-23)17(26)22-8-7-19(12-22)14-5-3-4-6-15(14)24(18(19)27)11-16(20)25/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,20,25)/t19-/m1/s1
InChIKeyXMHNKVXJNQXFOG-LJQANCHMSA-N
XLogP0.52
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The IUPAC name of 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide (CID 96581028) is 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is CCn1cc(C(=O)N2CC[C@]3(C2)C(=O)N(CC(N)=O)c2ccccc23)cn1.
What is the InChIKey of 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
The InChIKey is XMHNKVXJNQXFOG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-23-10-13(9-21-23)17(26)22-8-7-19(12-22)14-5-3-4-6-15(14)24(18(19)27)11-16(20)25/h3-6,9-10H,2,7-8,11-12H2,1H3,(H2,20,25)/t19-/m1/s1.
What are the key properties of 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide?
2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1'-(1-ethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide is sourced from PubChem (CID 96581028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).