N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C24H21FN4O3 — CID 166226980

IUPACN-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(NCc1ccnc(Oc2ccccc2F)c1)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C24H21FN4O3/c25-18-6-2-4-8-20(18)32-21-13-16(9-11-26-21)14-27-23(31)29-12-10-24(15-29)17-5-1-3-7-19(17)28-22(24)30/h1-9,11,13H,10,12,14-15H2,(H,27,31)(H,28,30)
InChIKeyXJUVEPWQAUBRJF-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.82
Rot. Bonds4

About N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 166226980) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID166226980
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESO=C(NCc1ccnc(Oc2ccccc2F)c1)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C24H21FN4O3/c25-18-6-2-4-8-20(18)32-21-13-16(9-11-26-21)14-27-23(31)29-12-10-24(15-29)17-5-1-3-7-19(17)28-22(24)30/h1-9,11,13H,10,12,14-15H2,(H,27,31)(H,28,30)
InChIKeyXJUVEPWQAUBRJF-UHFFFAOYSA-N
XLogP3.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 166226980) is N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is O=C(NCc1ccnc(Oc2ccccc2F)c1)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is XJUVEPWQAUBRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c25-18-6-2-4-8-20(18)32-21-13-16(9-11-26-21)14-27-23(31)29-12-10-24(15-29)17-5-1-3-7-19(17)28-22(24)30/h1-9,11,13H,10,12,14-15H2,(H,27,31)(H,28,30).
What are the key properties of N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 166226980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).