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

C21H21FN4O3 — CID 71709451

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C21H21FN4O3/c1-29-17-8-3-2-5-13(17)9-10-23-21(28)14-11-18(27)26(12-14)20-19-15(22)6-4-7-16(19)24-25-20/h2-8,14H,9-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyNYRRHWPHFQNLOA-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.42
Rot. Bonds6

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

1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 71709451) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID71709451
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C21H21FN4O3/c1-29-17-8-3-2-5-13(17)9-10-23-21(28)14-11-18(27)26(12-14)20-19-15(22)6-4-7-16(19)24-25-20/h2-8,14H,9-12H2,1H3,(H,23,28)(H,24,25)
InChIKeyNYRRHWPHFQNLOA-UHFFFAOYSA-N
XLogP2.42
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.42
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-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 71709451) is 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NYRRHWPHFQNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-29-17-8-3-2-5-13(17)9-10-23-21(28)14-11-18(27)26(12-14)20-19-15(22)6-4-7-16(19)24-25-20/h2-8,14H,9-12H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 396.42 g/mol, XLogP of 2.42, 6 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-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 71709451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).