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

C21H19N5O2 — CID 166622198

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1C1N(C(=O)c2cccnc2)CCC12C(=O)Nc1ccccc12
InChIInChI=1S/C21H19N5O2/c1-25-12-10-23-18(25)17-21(15-6-2-3-7-16(15)24-20(21)28)8-11-26(17)19(27)14-5-4-9-22-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,24,28)
InChIKeyIKUOJMRCVUYCEP-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.29
Rot. Bonds2

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

2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622198) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622198
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1C1N(C(=O)c2cccnc2)CCC12C(=O)Nc1ccccc12
InChIInChI=1S/C21H19N5O2/c1-25-12-10-23-18(25)17-21(15-6-2-3-7-16(15)24-20(21)28)8-11-26(17)19(27)14-5-4-9-22-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,24,28)
InChIKeyIKUOJMRCVUYCEP-UHFFFAOYSA-N
XLogP2.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622198) is 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1C1N(C(=O)c2cccnc2)CCC12C(=O)Nc1ccccc12.
What is the InChIKey of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IKUOJMRCVUYCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-25-12-10-23-18(25)17-21(15-6-2-3-7-16(15)24-20(21)28)8-11-26(17)19(27)14-5-4-9-22-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,24,28).
What are the key properties of 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 373.42 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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