N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H19FN4O2 — CID 71701306

IUPACN-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C20H19FN4O2/c21-15-5-3-4-13(10-15)8-9-22-20(27)14-11-18(26)25(12-14)19-16-6-1-2-7-17(16)23-24-19/h1-7,10,14H,8-9,11-12H2,(H,22,27)(H,23,24)
InChIKeyUYRLTVVHCUVNDM-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.41
Rot. Bonds5

About N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide

N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71701306) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71701306
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(=O)N(c2n[nH]c3ccccc23)C1
InChIInChI=1S/C20H19FN4O2/c21-15-5-3-4-13(10-15)8-9-22-20(27)14-11-18(26)25(12-14)19-16-6-1-2-7-17(16)23-24-19/h1-7,10,14H,8-9,11-12H2,(H,22,27)(H,23,24)
InChIKeyUYRLTVVHCUVNDM-UHFFFAOYSA-N
XLogP2.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 71701306) is N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cccc(F)c1)C1CC(=O)N(c2n[nH]c3ccccc23)C1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYRLTVVHCUVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-5-3-4-13(10-15)8-9-22-20(27)14-11-18(26)25(12-14)19-16-6-1-2-7-17(16)23-24-19/h1-7,10,14H,8-9,11-12H2,(H,22,27)(H,23,24).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-1-(1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71701306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).