N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide

C15H12FN3O2S — CID 47090311

IUPACN-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1n[nH]c2cccc(F)c12
InChIInChI=1S/C15H12FN3O2S/c16-9-3-1-4-10-14(9)15(19-18-10)17-13(21)7-6-11(20)12-5-2-8-22-12/h1-5,8H,6-7H2,(H2,17,18,19,21)
InChIKeyCCCMZOOZYCIPCU-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.37
Rot. Bonds5

About N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide

N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 47090311) has the molecular formula C15H12FN3O2S and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID47090311
Molecular FormulaC15H12FN3O2S
Molecular Weight317.34 g/mol
Exact Mass317.06
IUPAC NameN-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1n[nH]c2cccc(F)c12
InChIInChI=1S/C15H12FN3O2S/c16-9-3-1-4-10-14(9)15(19-18-10)17-13(21)7-6-11(20)12-5-2-8-22-12/h1-5,8H,6-7H2,(H2,17,18,19,21)
InChIKeyCCCMZOOZYCIPCU-UHFFFAOYSA-N
XLogP3.37
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-thiophen-2-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]butanamide
CID 36579570
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
2,2,2-trifluoro-N-(4-fluoro-1H-indazol-3-yl)acetamide
CID 110470956
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
4-oxo-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-4-thiophen-2-ylbutanamide
CID 108747821
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796358
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-(1-methylpyrazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18152565
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
N-(3-aminopropyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796400
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 47090311) is N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1n[nH]c2cccc(F)c12.
What is the InChIKey of N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is CCCMZOOZYCIPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-9-3-1-4-10-14(9)15(19-18-10)17-13(21)7-6-11(20)12-5-2-8-22-12/h1-5,8H,6-7H2,(H2,17,18,19,21).
What are the key properties of N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 317.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1H-indazol-3-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 47090311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).