1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C20H18F2N4O2 — CID 75465608

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C20H18F2N4O2/c21-14-4-1-3-12(9-14)7-8-23-20(28)13-10-17(27)26(11-13)19-18-15(22)5-2-6-16(18)24-25-19/h1-6,9,13H,7-8,10-11H2,(H,23,28)(H,24,25)
InChIKeyRHDYZGDHIBVTAR-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.55
Rot. Bonds5

About 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 75465608) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID75465608
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1cccc(F)c1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C20H18F2N4O2/c21-14-4-1-3-12(9-14)7-8-23-20(28)13-10-17(27)26(11-13)19-18-15(22)5-2-6-16(18)24-25-19/h1-6,9,13H,7-8,10-11H2,(H,23,28)(H,24,25)
InChIKeyRHDYZGDHIBVTAR-UHFFFAOYSA-N
XLogP2.55
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 75465608) is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1cccc(F)c1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RHDYZGDHIBVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-14-4-1-3-12(9-14)7-8-23-20(28)13-10-17(27)26(11-13)19-18-15(22)5-2-6-16(18)24-25-19/h1-6,9,13H,7-8,10-11H2,(H,23,28)(H,24,25).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(3-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75465608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).