5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide

C20H16FN3OS — CID 56848040

IUPAC5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCc1cc2cnn(C)c2cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIInChI=1S/C20H16FN3OS/c1-12-9-13-11-22-24(2)17(13)10-14(12)18-7-8-19(26-18)20(25)23-16-6-4-3-5-15(16)21/h3-11H,1-2H3,(H,23,25)
InChIKeyZNPKKPWHPIOPCQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.00
Rot. Bonds3

About 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide

5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 56848040) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID56848040
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide
SMILESCc1cc2cnn(C)c2cc1-c1ccc(C(=O)Nc2ccccc2F)s1
InChIInChI=1S/C20H16FN3OS/c1-12-9-13-11-22-24(2)17(13)10-14(12)18-7-8-19(26-18)20(25)23-16-6-4-3-5-15(16)21/h3-11H,1-2H3,(H,23,25)
InChIKeyZNPKKPWHPIOPCQ-UHFFFAOYSA-N
XLogP5.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide (CID 56848040) is 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide is Cc1cc2cnn(C)c2cc1-c1ccc(C(=O)Nc2ccccc2F)s1.
What is the InChIKey of 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is ZNPKKPWHPIOPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c1-12-9-13-11-22-24(2)17(13)10-14(12)18-7-8-19(26-18)20(25)23-16-6-4-3-5-15(16)21/h3-11H,1-2H3,(H,23,25).
What are the key properties of 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide?
5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylindazol-6-yl)-N-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 56848040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).