(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H28N4O2 — CID 166613451

IUPAC(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2c3c(nn2C)CCCC3)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H28N4O2/c1-3-8-19-23(16-10-5-7-12-18(16)24-22(23)29)13-14-27(19)21(28)20-15-9-4-6-11-17(15)25-26(20)2/h5,7,10,12,19H,3-4,6,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-,23+/m0/s1
InChIKeyOWVJGRRAXGCUKI-WMZHIEFXSA-N
MW392.50 g/mol
LogP3.20
Rot. Bonds3

About (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166613451) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166613451
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2c3c(nn2C)CCCC3)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H28N4O2/c1-3-8-19-23(16-10-5-7-12-18(16)24-22(23)29)13-14-27(19)21(28)20-15-9-4-6-11-17(15)25-26(20)2/h5,7,10,12,19H,3-4,6,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-,23+/m0/s1
InChIKeyOWVJGRRAXGCUKI-WMZHIEFXSA-N
XLogP3.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423546
(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619328
(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620844
(2'S,3R)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618128
(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616899
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134
(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616559
(2'S,3R)-1'-(3-methylsulfonylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622386
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166613451) is (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2c3c(nn2C)CCCC3)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is OWVJGRRAXGCUKI-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-3-8-19-23(16-10-5-7-12-18(16)24-22(23)29)13-14-27(19)21(28)20-15-9-4-6-11-17(15)25-26(20)2/h5,7,10,12,19H,3-4,6,8-9,11,13-14H2,1-2H3,(H,24,29)/t19-,23+/m0/s1.
What are the key properties of (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166613451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).