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

C20H19FN4O3 — CID 75465617

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C20H19FN4O3/c1-28-14-7-5-12(6-8-14)10-22-20(27)13-9-17(26)25(11-13)19-18-15(21)3-2-4-16(18)23-24-19/h2-8,13H,9-11H2,1H3,(H,22,27)(H,23,24)
InChIKeyGIZFIRRFVRSALQ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.38
Rot. Bonds5

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

1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 75465617) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID75465617
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1
InChIInChI=1S/C20H19FN4O3/c1-28-14-7-5-12(6-8-14)10-22-20(27)13-9-17(26)25(11-13)19-18-15(21)3-2-4-16(18)23-24-19/h2-8,13H,9-11H2,1H3,(H,22,27)(H,23,24)
InChIKeyGIZFIRRFVRSALQ-UHFFFAOYSA-N
XLogP2.38
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.38
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-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 75465617) is 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(CNC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)cc1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GIZFIRRFVRSALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c1-28-14-7-5-12(6-8-14)10-22-20(27)13-9-17(26)25(11-13)19-18-15(21)3-2-4-16(18)23-24-19/h2-8,13H,9-11H2,1H3,(H,22,27)(H,23,24).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.38, 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-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 75465617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).