1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

C15H12FN5O2S — CID 71706130

IUPAC1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C15H12FN5O2S/c16-9-2-1-3-10-12(9)13(20-19-10)21-7-8(6-11(21)22)14(23)18-15-17-4-5-24-15/h1-5,8H,6-7H2,(H,19,20)(H,17,18,23)
InChIKeyPPSTUDJLGKZVQR-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.15
Rot. Bonds3

About 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide

1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (PubChem CID 71706130) has the molecular formula C15H12FN5O2S and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
PubChem CID71706130
Molecular FormulaC15H12FN5O2S
Molecular Weight345.36 g/mol
Exact Mass345.07
IUPAC Name1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1nccs1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1
InChIInChI=1S/C15H12FN5O2S/c16-9-2-1-3-10-12(9)13(20-19-10)21-7-8(6-11(21)22)14(23)18-15-17-4-5-24-15/h1-5,8H,6-7H2,(H,19,20)(H,17,18,23)
InChIKeyPPSTUDJLGKZVQR-UHFFFAOYSA-N
XLogP2.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-amino-1H-indazol-4-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 122195174
US10590075, Example 18
CID 129285419
US10590075, Example 19
CID 129301744
N-(1,3-benzothiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489279
1-(4-fluoro-1H-indazol-3-yl)-N-(4-methylpyridin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489291
1-(4-fluoro-1H-indazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489294
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489299
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489301
1-(4-fluoro-1H-indazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 75466110
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 90489277
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489285
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluoro-1H-indazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 90489287

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide (CID 71706130) is 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is O=C(Nc1nccs1)C1CC(=O)N(c2n[nH]c3cccc(F)c23)C1.
What is the InChIKey of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is PPSTUDJLGKZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2S/c16-9-2-1-3-10-12(9)13(20-19-10)21-7-8(6-11(21)22)14(23)18-15-17-4-5-24-15/h1-5,8H,6-7H2,(H,19,20)(H,17,18,23).
What are the key properties of 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide?
1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indazol-3-yl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71706130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).