N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide

C20H16FN3OS — CID 59009969

IUPACN-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3OS/c21-16-5-3-14(4-6-16)13-24-19-8-7-17(10-15(19)12-22-24)23-20(25)11-18-2-1-9-26-18/h1-10,12H,11,13H2,(H,23,25)
InChIKeyUPTTUDBONOQRQL-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.47
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide

N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 59009969) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide
PubChem CID59009969
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC NameN-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3OS/c21-16-5-3-14(4-6-16)13-24-19-8-7-17(10-15(19)12-22-24)23-20(25)11-18-2-1-9-26-18/h1-10,12H,11,13H2,(H,23,25)
InChIKeyUPTTUDBONOQRQL-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide (CID 59009969) is N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide?
The InChIKey is UPTTUDBONOQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-16-5-3-14(4-6-16)13-24-19-8-7-17(10-15(19)12-22-24)23-20(25)11-18-2-1-9-26-18/h1-10,12H,11,13H2,(H,23,25).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide?
N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide has a molecular weight of 365.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 59009969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).