(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H23N5O2S — CID 166618154

IUPAC(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCCc1nc(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2nccn2C)cs1
InChIInChI=1S/C22H23N5O2S/c1-3-6-17-24-16(13-30-17)20(28)27-11-9-22(18(27)19-23-10-12-26(19)2)14-7-4-5-8-15(14)25-21(22)29/h4-5,7-8,10,12-13,18H,3,6,9,11H2,1-2H3,(H,25,29)/t18-,22+/m0/s1
InChIKeyBDUACEANEJVKNK-PGRDOPGGSA-N
MW421.53 g/mol
LogP3.31
Rot. Bonds4

About (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166618154) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166618154
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCCc1nc(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2nccn2C)cs1
InChIInChI=1S/C22H23N5O2S/c1-3-6-17-24-16(13-30-17)20(28)27-11-9-22(18(27)19-23-10-12-26(19)2)14-7-4-5-8-15(14)25-21(22)29/h4-5,7-8,10,12-13,18H,3,6,9,11H2,1-2H3,(H,25,29)/t18-,22+/m0/s1
InChIKeyBDUACEANEJVKNK-PGRDOPGGSA-N
XLogP3.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620503
1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171713513
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622198
(2'R,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171711902
(2'R,3R)-1'-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616575
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616832
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624246
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622806
(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622043

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166618154) is (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is CCCc1nc(C(=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2c2nccn2C)cs1.
What is the InChIKey of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is BDUACEANEJVKNK-PGRDOPGGSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-3-6-17-24-16(13-30-17)20(28)27-11-9-22(18(27)19-23-10-12-26(19)2)14-7-4-5-8-15(14)25-21(22)29/h4-5,7-8,10,12-13,18H,3,6,9,11H2,1-2H3,(H,25,29)/t18-,22+/m0/s1.
What are the key properties of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 421.53 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166618154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).