(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C19H22N4O3 — CID 166613051

IUPAC(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)Cc2c[nH][nH]c2=O)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H22N4O3/c1-2-5-15-19(13-6-3-4-7-14(13)21-18(19)26)8-9-23(15)16(24)10-12-11-20-22-17(12)25/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,21,26)(H2,20,22,25)/t15-,19-/m0/s1
InChIKeyWCRXMHFXJWCYLT-KXBFYZLASA-N
MW354.41 g/mol
LogP1.54
Rot. Bonds4

About (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613051) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613051
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)Cc2c[nH][nH]c2=O)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C19H22N4O3/c1-2-5-15-19(13-6-3-4-7-14(13)21-18(19)26)8-9-23(15)16(24)10-12-11-20-22-17(12)25/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,21,26)(H2,20,22,25)/t15-,19-/m0/s1
InChIKeyWCRXMHFXJWCYLT-KXBFYZLASA-N
XLogP1.54
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3R)-1'-(3-methylsulfonylpropanoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615313
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
methyl 5-oxo-5-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]pentanoate
CID 165421143
(2'S,3S)-2'-propyl-1'-(3-pyridin-4-ylpropanoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618565
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
formic acid;(2'S,3R)-1'-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171322196
formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide
CID 171686558
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3R)-1'-[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322081
(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622386
(2'S,3S)-1'-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618464

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613051) is (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)Cc2c[nH][nH]c2=O)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is WCRXMHFXJWCYLT-KXBFYZLASA-N. The full InChI is InChI=1S/C19H22N4O3/c1-2-5-15-19(13-6-3-4-7-14(13)21-18(19)26)8-9-23(15)16(24)10-12-11-20-22-17(12)25/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H,21,26)(H2,20,22,25)/t15-,19-/m0/s1.
What are the key properties of (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).