6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H17F4N3OS — CID 68749537

IUPAC6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC=Cc1c(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn12
InChIInChI=1S/C23H17F4N3OS/c1-2-5-19-20(22(31)28-12-17-8-4-9-32-17)29-21-18(23(25,26)27)11-15(13-30(19)21)14-6-3-7-16(24)10-14/h2-11,13H,12H2,1H3,(H,28,31)
InChIKeyZKVVXXUTJVOHQE-UHFFFAOYSA-N
MW459.47 g/mol
LogP6.18
Rot. Bonds5

About 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 68749537) has the molecular formula C23H17F4N3OS and a molecular weight of 459.47 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID68749537
Molecular FormulaC23H17F4N3OS
Molecular Weight459.47 g/mol
Exact Mass459.10
IUPAC Name6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC=Cc1c(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn12
InChIInChI=1S/C23H17F4N3OS/c1-2-5-19-20(22(31)28-12-17-8-4-9-32-17)29-21-18(23(25,26)27)11-15(13-30(19)21)14-6-3-7-16(24)10-14/h2-11,13H,12H2,1H3,(H,28,31)
InChIKeyZKVVXXUTJVOHQE-UHFFFAOYSA-N
XLogP6.18
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 68749537) is 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CC=Cc1c(C(=O)NCc2cccs2)nc2c(C(F)(F)F)cc(-c3cccc(F)c3)cn12.
What is the InChIKey of 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZKVVXXUTJVOHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N3OS/c1-2-5-19-20(22(31)28-12-17-8-4-9-32-17)29-21-18(23(25,26)27)11-15(13-30(19)21)14-6-3-7-16(24)10-14/h2-11,13H,12H2,1H3,(H,28,31).
What are the key properties of 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-prop-1-enyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 68749537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).