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

C24H20FN5O2 — CID 166622043

IUPAC(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(C(=O)c2cc3cc(F)ccc3[nH]2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C24H20FN5O2/c1-29-11-9-26-21(29)20-24(16-4-2-3-5-18(16)28-23(24)32)8-10-30(20)22(31)19-13-14-12-15(25)6-7-17(14)27-19/h2-7,9,11-13,20,27H,8,10H2,1H3,(H,28,32)/t20-,24+/m0/s1
InChIKeyMPHIEVVWNIFOBU-GBXCKJPGSA-N
MW429.46 g/mol
LogP3.52
Rot. Bonds2

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

(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622043) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is (2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622043
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(C(=O)c2cc3cc(F)ccc3[nH]2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C24H20FN5O2/c1-29-11-9-26-21(29)20-24(16-4-2-3-5-18(16)28-23(24)32)8-10-30(20)22(31)19-13-14-12-15(25)6-7-17(14)27-19/h2-7,9,11-13,20,27H,8,10H2,1H3,(H,28,32)/t20-,24+/m0/s1
InChIKeyMPHIEVVWNIFOBU-GBXCKJPGSA-N
XLogP3.52
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614061
(2'S,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165423251
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-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622806
(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
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'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
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'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616832
(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

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (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) is (2'R,3R)-1'-(5-fluoro-1H-indole-2-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-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1[C@@H]1N(C(=O)c2cc3cc(F)ccc3[nH]2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is MPHIEVVWNIFOBU-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-29-11-9-26-21(29)20-24(16-4-2-3-5-18(16)28-23(24)32)8-10-30(20)22(31)19-13-14-12-15(25)6-7-17(14)27-19/h2-7,9,11-13,20,27H,8,10H2,1H3,(H,28,32)/t20-,24+/m0/s1.
What are the key properties of (2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 429.46 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).