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

C17H15FN4O3 — CID 71705549

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C17H15FN4O3/c18-12-4-1-5-13-15(12)16(21-20-13)22-9-10(7-14(22)23)17(24)19-8-11-3-2-6-25-11/h1-6,10H,7-9H2,(H,19,24)(H,20,21)
InChIKeyJIOCWZRIMMUUSC-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.96
Rot. Bonds4

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

1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 71705549) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID71705549
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C17H15FN4O3/c18-12-4-1-5-13-15(12)16(21-20-13)22-9-10(7-14(22)23)17(24)19-8-11-3-2-6-25-11/h1-6,10H,7-9H2,(H,19,24)(H,20,21)
InChIKeyJIOCWZRIMMUUSC-UHFFFAOYSA-N
XLogP1.96
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.96
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-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 71705549) is 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccco1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JIOCWZRIMMUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c18-12-4-1-5-13-15(12)16(21-20-13)22-9-10(7-14(22)23)17(24)19-8-11-3-2-6-25-11/h1-6,10H,7-9H2,(H,19,24)(H,20,21).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.33 g/mol, XLogP of 1.96, 4 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-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71705549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).