N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide

C20H12FN3O3 — CID 23589915

IUPACN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1
InChIInChI=1S/C20H12FN3O3/c21-18-13(22-20(25)15-6-3-9-26-15)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-5-14(11)27-16/h1-10H,(H,22,25)(H,23,24)
InChIKeyYOOXWGRIYMYRLV-UHFFFAOYSA-N
MW361.33 g/mol
LogP4.96
Rot. Bonds3

About N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide

N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 23589915) has the molecular formula C20H12FN3O3 and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
PubChem CID23589915
Molecular FormulaC20H12FN3O3
Molecular Weight361.33 g/mol
Exact Mass361.09
IUPAC NameN-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1
InChIInChI=1S/C20H12FN3O3/c21-18-13(22-20(25)15-6-3-9-26-15)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-5-14(11)27-16/h1-10H,(H,22,25)(H,23,24)
InChIKeyYOOXWGRIYMYRLV-UHFFFAOYSA-N
XLogP4.96
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide (CID 23589915) is N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1F)c1ccco1.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
The InChIKey is YOOXWGRIYMYRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3/c21-18-13(22-20(25)15-6-3-9-26-15)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-5-14(11)27-16/h1-10H,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 361.33 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 23589915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).