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

C19H17FN4O3 — CID 90489270

IUPAC1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1
InChIInChI=1S/C19H17FN4O3/c1-27-13-5-2-4-12(9-13)21-19(26)11-8-16(25)24(10-11)18-17-14(20)6-3-7-15(17)22-23-18/h2-7,9,11H,8,10H2,1H3,(H,21,26)(H,22,23)
InChIKeyMBCLDPZGASYHSW-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.70
Rot. Bonds4

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

1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90489270) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90489270
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1
InChIInChI=1S/C19H17FN4O3/c1-27-13-5-2-4-12(9-13)21-19(26)11-8-16(25)24(10-11)18-17-14(20)6-3-7-15(17)22-23-18/h2-7,9,11H,8,10H2,1H3,(H,21,26)(H,22,23)
InChIKeyMBCLDPZGASYHSW-UHFFFAOYSA-N
XLogP2.70
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.70
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-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 90489270) is 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1cccc(NC(=O)C2CC(=O)N(c3n[nH]c4cccc(F)c34)C2)c1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MBCLDPZGASYHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-27-13-5-2-4-12(9-13)21-19(26)11-8-16(25)24(10-11)18-17-14(20)6-3-7-15(17)22-23-18/h2-7,9,11H,8,10H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 2.70, 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-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90489270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).