6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide

C19H14FN3O2S — CID 72564417

IUPAC6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(C=Cc3cccs3)n[nH]c2cc1F
InChIInChI=1S/C19H14FN3O2S/c20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12/h1-10H,11H2,(H,21,24)(H,22,23)
InChIKeyATKHRORYZUOJOM-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.46
Rot. Bonds5

About 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide

6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide (PubChem CID 72564417) has the molecular formula C19H14FN3O2S and a molecular weight of 367.41 g/mol. Its IUPAC name is 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide
PubChem CID72564417
Molecular FormulaC19H14FN3O2S
Molecular Weight367.41 g/mol
Exact Mass367.08
IUPAC Name6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide
SMILESO=C(NCc1ccco1)c1cc2c(C=Cc3cccs3)n[nH]c2cc1F
InChIInChI=1S/C19H14FN3O2S/c20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12/h1-10H,11H2,(H,21,24)(H,22,23)
InChIKeyATKHRORYZUOJOM-UHFFFAOYSA-N
XLogP4.46
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(thiophen-3-yl)methyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-5-carboxamide
CID 89971805
N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 45190625
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 22260712
N-[3-(1-benzofuran-2-yl)-4-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 22260745
3-(3-fluorophenyl)-7-methyl-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
CID 23589696
3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-7-methyl-2H-indazole-5-carboxamide
CID 23589707
3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589715
3-(1-benzofuran-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589716
3-(1-benzothiophen-2-yl)-4-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589745
3-(1-benzothiophen-2-yl)-6-fluoro-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589759
4-fluoro-N-(furan-2-ylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 23589802
6-fluoro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-1H-indazole-5-carboxamide
CID 23589822

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide?
The IUPAC name of 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide (CID 72564417) is 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide is O=C(NCc1ccco1)c1cc2c(C=Cc3cccs3)n[nH]c2cc1F.
What is the InChIKey of 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide?
The InChIKey is ATKHRORYZUOJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S/c20-16-10-18-15(17(22-23-18)6-5-13-4-2-8-26-13)9-14(16)19(24)21-11-12-3-1-7-25-12/h1-10H,11H2,(H,21,24)(H,22,23).
What are the key properties of 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide?
6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(furan-2-ylmethyl)-3-(2-thiophen-2-ylethenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 72564417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).