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

C20H12FN3O2S — CID 23589919

IUPACN-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F)c1ccco1
InChIInChI=1S/C20H12FN3O2S/c21-18-13(22-20(25)14-5-3-9-26-14)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-6-15(11)27-16/h1-10H,(H,22,25)(H,23,24)
InChIKeyIEFLWRYDKRYIAP-UHFFFAOYSA-N
MW377.40 g/mol
LogP5.43
Rot. Bonds3

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

N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide (PubChem CID 23589919) has the molecular formula C20H12FN3O2S and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
PubChem CID23589919
Molecular FormulaC20H12FN3O2S
Molecular Weight377.40 g/mol
Exact Mass377.06
IUPAC NameN-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F)c1ccco1
InChIInChI=1S/C20H12FN3O2S/c21-18-13(22-20(25)14-5-3-9-26-14)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-6-15(11)27-16/h1-10H,(H,22,25)(H,23,24)
InChIKeyIEFLWRYDKRYIAP-UHFFFAOYSA-N
XLogP5.43
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.40
LogP ≤ 55.43
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)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide (CID 23589919) is N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide is O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1F)c1ccco1.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
The InChIKey is IEFLWRYDKRYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O2S/c21-18-13(22-20(25)14-5-3-9-26-14)8-7-12-17(18)19(24-23-12)16-10-11-4-1-2-6-15(11)27-16/h1-10H,(H,22,25)(H,23,24).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide?
N-[3-(1-benzothiophen-2-yl)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 5.43, 3 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)-4-fluoro-1H-indazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 23589919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).