N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide

C24H18FN3O2S — CID 22260762

IUPACN-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C24H18FN3O2S/c1-30-20-8-4-3-7-16(20)24(29)26-13-15-10-17-19(12-18(15)25)27-28-23(17)22-11-14-6-2-5-9-21(14)31-22/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyGICZHTXANZGFJN-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.52
Rot. Bonds5

About N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide

N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide (PubChem CID 22260762) has the molecular formula C24H18FN3O2S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
PubChem CID22260762
Molecular FormulaC24H18FN3O2S
Molecular Weight431.49 g/mol
Exact Mass431.11
IUPAC NameN-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C24H18FN3O2S/c1-30-20-8-4-3-7-16(20)24(29)26-13-15-10-17-19(12-18(15)25)27-28-23(17)22-11-14-6-2-5-9-21(14)31-22/h2-12H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyGICZHTXANZGFJN-UHFFFAOYSA-N
XLogP5.52
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide (CID 22260762) is N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.
What is the InChIKey of N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide?
The InChIKey is GICZHTXANZGFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2S/c1-30-20-8-4-3-7-16(20)24(29)26-13-15-10-17-19(12-18(15)25)27-28-23(17)22-11-14-6-2-5-9-21(14)31-22/h2-12H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide?
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide has a molecular weight of 431.49 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 22260762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).