1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C22H23FN4O2 — CID 91956121

IUPAC1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cc2ccccc2n1)C1CCC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C22H23FN4O2/c23-18-7-3-5-16(13-18)14-27-20(9-10-21(27)28)22(29)24-11-4-12-26-15-17-6-1-2-8-19(17)25-26/h1-3,5-8,13,15,20H,4,9-12,14H2,(H,24,29)
InChIKeyIWQXFNHCBWDFBR-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.87
Rot. Bonds7

About 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide

1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 91956121) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID91956121
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCCn1cc2ccccc2n1)C1CCC(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C22H23FN4O2/c23-18-7-3-5-16(13-18)14-27-20(9-10-21(27)28)22(29)24-11-4-12-26-15-17-6-1-2-8-19(17)25-26/h1-3,5-8,13,15,20H,4,9-12,14H2,(H,24,29)
InChIKeyIWQXFNHCBWDFBR-UHFFFAOYSA-N
XLogP2.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 91956121) is 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCCn1cc2ccccc2n1)C1CCC(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is IWQXFNHCBWDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-18-7-3-5-16(13-18)14-27-20(9-10-21(27)28)22(29)24-11-4-12-26-15-17-6-1-2-8-19(17)25-26/h1-3,5-8,13,15,20H,4,9-12,14H2,(H,24,29).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(3-indazol-2-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 91956121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).