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

C24H22FN3O2S — CID 166620503

IUPAC(2'S,3R)-2'-(4-fluorophenyl)-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]2c2ccc(F)cc2)cs1
InChIInChI=1S/C24H22FN3O2S/c1-2-5-20-26-19(14-31-20)22(29)28-13-12-24(21(28)15-8-10-16(25)11-9-15)17-6-3-4-7-18(17)27-23(24)30/h3-4,6-11,14,21H,2,5,12-13H2,1H3,(H,27,30)/t21-,24+/m0/s1
InChIKeyCQYKEABGZFXSCY-XUZZJYLKSA-N
MW435.52 g/mol
LogP4.71
Rot. Bonds4

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

(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166620503) has the molecular formula C24H22FN3O2S and a molecular weight of 435.52 g/mol. Its IUPAC name is (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166620503
Molecular FormulaC24H22FN3O2S
Molecular Weight435.52 g/mol
Exact Mass435.14
IUPAC Name(2'S,3R)-2'-(4-fluorophenyl)-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]2c2ccc(F)cc2)cs1
InChIInChI=1S/C24H22FN3O2S/c1-2-5-20-26-19(14-31-20)22(29)28-13-12-24(21(28)15-8-10-16(25)11-9-15)17-6-3-4-7-18(17)27-23(24)30/h3-4,6-11,14,21H,2,5,12-13H2,1H3,(H,27,30)/t21-,24+/m0/s1
InChIKeyCQYKEABGZFXSCY-XUZZJYLKSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615691
(2'S,3R)-1'-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615956
(2'S,3R)-1'-(2-ethyl-5-methylpyrazole-3-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612719
(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613792
1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166617276
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3R)-2'-(4-fluorophenyl)-1'-(3-methyloxetane-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614215
(2'S,3R)-1'-(4-chloro-1-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622342
(2'S,3R)-2'-(4-fluorophenyl)-1'-[3-(1,2,4-triazol-1-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622291
5-[2-oxo-2-(2-oxo-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 166621790
1'-(2-methyl-1,3-oxazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614621

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166620503) is (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-(4-fluorophenyl)-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]2c2ccc(F)cc2)cs1.
What is the InChIKey of (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CQYKEABGZFXSCY-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22FN3O2S/c1-2-5-20-26-19(14-31-20)22(29)28-13-12-24(21(28)15-8-10-16(25)11-9-15)17-6-3-4-7-18(17)27-23(24)30/h3-4,6-11,14,21H,2,5,12-13H2,1H3,(H,27,30)/t21-,24+/m0/s1.
What are the key properties of (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 435.52 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-(4-fluorophenyl)-1'-(2-propyl-1,3-thiazole-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166620503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).