2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide

C20H15FN4O3S — CID 72628121

IUPAC2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)o1
InChIInChI=1S/C20H15FN4O3S/c1-22-19(26)17-6-7-18(28-17)20(27)23-16-9-12-14(5-4-11-3-2-8-29-11)24-25-15(12)10-13(16)21/h2-10H,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyCKEAYPRXSDBKIC-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.14
Rot. Bonds5

About 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide

2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide (PubChem CID 72628121) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
PubChem CID72628121
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)o1
InChIInChI=1S/C20H15FN4O3S/c1-22-19(26)17-6-7-18(28-17)20(27)23-16-9-12-14(5-4-11-3-2-8-29-11)24-25-15(12)10-13(16)21/h2-10H,1H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyCKEAYPRXSDBKIC-UHFFFAOYSA-N
XLogP4.14
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
The IUPAC name of 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide (CID 72628121) is 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
The canonical SMILES for 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)o1.
What is the InChIKey of 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
The InChIKey is CKEAYPRXSDBKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-22-19(26)17-6-7-18(28-17)20(27)23-16-9-12-14(5-4-11-3-2-8-29-11)24-25-15(12)10-13(16)21/h2-10H,1H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide?
2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide has a molecular weight of 410.43 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-5-N-methylfuran-2,5-dicarboxamide is sourced from PubChem (CID 72628121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).