N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide

C23H16FN3O2S — CID 59023720

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1F
InChIInChI=1S/C23H16FN3O2S/c1-29-19-7-6-14(9-18(19)24)23(28)26-16-8-15-12-25-27-22(15)17(11-16)21-10-13-4-2-3-5-20(13)30-21/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyUVHHLBJNIKBCIN-UHFFFAOYSA-N
MW417.47 g/mol
LogP5.84
Rot. Bonds4

About N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide (PubChem CID 59023720) has the molecular formula C23H16FN3O2S and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide
PubChem CID59023720
Molecular FormulaC23H16FN3O2S
Molecular Weight417.47 g/mol
Exact Mass417.09
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1F
InChIInChI=1S/C23H16FN3O2S/c1-29-19-7-6-14(9-18(19)24)23(28)26-16-8-15-12-25-27-22(15)17(11-16)21-10-13-4-2-3-5-20(13)30-21/h2-12H,1H3,(H,25,27)(H,26,28)
InChIKeyUVHHLBJNIKBCIN-UHFFFAOYSA-N
XLogP5.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.47
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide (CID 59023720) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cc1F.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide?
The InChIKey is UVHHLBJNIKBCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O2S/c1-29-19-7-6-14(9-18(19)24)23(28)26-16-8-15-12-25-27-22(15)17(11-16)21-10-13-4-2-3-5-20(13)30-21/h2-12H,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide has a molecular weight of 417.47 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 59023720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).