(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H23N5O3 — CID 166624050

IUPAC(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cnc(C)cc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1nccn1C
InChIInChI=1S/C23H23N5O3/c1-14-12-15(18(31-3)13-25-14)21(29)28-10-8-23(19(28)20-24-9-11-27(20)2)16-6-4-5-7-17(16)26-22(23)30/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,26,30)/t19-,23+/m0/s1
InChIKeyMKGJWZNOGSIUPL-WMZHIEFXSA-N
MW417.47 g/mol
LogP2.61
Rot. Bonds3

About (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166624050) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166624050
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cnc(C)cc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1nccn1C
InChIInChI=1S/C23H23N5O3/c1-14-12-15(18(31-3)13-25-14)21(29)28-10-8-23(19(28)20-24-9-11-27(20)2)16-6-4-5-7-17(16)26-22(23)30/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,26,30)/t19-,23+/m0/s1
InChIKeyMKGJWZNOGSIUPL-WMZHIEFXSA-N
XLogP2.61
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2'R,3R)-1'-(5-fluoro-2-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612358
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
(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'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614061
2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622198
(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
(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)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622043
1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171713513

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166624050) is (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1cnc(C)cc1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1nccn1C.
What is the InChIKey of (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MKGJWZNOGSIUPL-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-14-12-15(18(31-3)13-25-14)21(29)28-10-8-23(19(28)20-24-9-11-27(20)2)16-6-4-5-7-17(16)26-22(23)30/h4-7,9,11-13,19H,8,10H2,1-3H3,(H,26,30)/t19-,23+/m0/s1.
What are the key properties of (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 417.47 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).