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

C18H17FN4O3 — CID 71701040

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccco1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H17FN4O3/c19-13-4-1-5-14-16(13)17(22-21-14)23-10-11(9-15(23)24)18(25)20-7-6-12-3-2-8-26-12/h1-5,8,11H,6-7,9-10H2,(H,20,25)(H,21,22)
InChIKeyUYSMPWXZCXMGQP-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.01
Rot. Bonds5

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

1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71701040) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71701040
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccco1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C18H17FN4O3/c19-13-4-1-5-14-16(13)17(22-21-14)23-10-11(9-15(23)24)18(25)20-7-6-12-3-2-8-26-12/h1-5,8,11H,6-7,9-10H2,(H,20,25)(H,21,22)
InChIKeyUYSMPWXZCXMGQP-UHFFFAOYSA-N
XLogP2.01
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 71701040) is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1ccco1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYSMPWXZCXMGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-13-4-1-5-14-16(13)17(22-21-14)23-10-11(9-15(23)24)18(25)20-7-6-12-3-2-8-26-12/h1-5,8,11H,6-7,9-10H2,(H,20,25)(H,21,22).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71701040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).