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

C20H19FN4O3 — CID 97264302

IUPAC(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C20H19FN4O3/c21-15-2-1-3-16-18(15)19(24-23-16)25-11-13(10-17(25)27)20(28)22-9-8-12-4-6-14(26)7-5-12/h1-7,13,26H,8-11H2,(H,22,28)(H,23,24)/t13-/m1/s1
InChIKeyNVYSEZNMMTVTFL-CYBMUJFWSA-N
MW382.40 g/mol
LogP2.12
Rot. Bonds5

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

(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97264302) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97264302
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C20H19FN4O3/c21-15-2-1-3-16-18(15)19(24-23-16)25-11-13(10-17(25)27)20(28)22-9-8-12-4-6-14(26)7-5-12/h1-7,13,26H,8-11H2,(H,22,28)(H,23,24)/t13-/m1/s1
InChIKeyNVYSEZNMMTVTFL-CYBMUJFWSA-N
XLogP2.12
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 75465615
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 75465898
(3S)-1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97263699
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-[(4-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75356859
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 75465635
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97263867
N-cyclopentyl-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 71700784
(3R)-N-(3,4-dimethylphenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754349
(3R)-N-(3-acetamidophenyl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 99754399
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 71827888
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489297
N-benzyl-1-(4-fluoro-1H-indazol-3-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 71703437

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97264302) is (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1ccc(O)cc1)[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NVYSEZNMMTVTFL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-2-1-3-16-18(15)19(24-23-16)25-11-13(10-17(25)27)20(28)22-9-8-12-4-6-14(26)7-5-12/h1-7,13,26H,8-11H2,(H,22,28)(H,23,24)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluoro-1H-indazol-3-yl)-N-[2-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97264302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).