5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide

C27H18F2N4OS — CID 66863365

IUPAC5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccs3)cn2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C27H18F2N4OS/c28-19-4-1-3-17(11-19)14-33-23-8-6-20(29)12-18(23)13-24(33)27(34)30-21-7-9-26-31-22(16-32(26)15-21)25-5-2-10-35-25/h1-13,15-16H,14H2,(H,30,34)
InChIKeyZTHVFKAIYXAFNM-UHFFFAOYSA-N
MW484.53 g/mol
LogP6.60
Rot. Bonds5

About 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide

5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide (PubChem CID 66863365) has the molecular formula C27H18F2N4OS and a molecular weight of 484.53 g/mol. Its IUPAC name is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide
PubChem CID66863365
Molecular FormulaC27H18F2N4OS
Molecular Weight484.53 g/mol
Exact Mass484.12
IUPAC Name5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccs3)cn2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1
InChIInChI=1S/C27H18F2N4OS/c28-19-4-1-3-17(11-19)14-33-23-8-6-20(29)12-18(23)13-24(33)27(34)30-21-7-9-26-31-22(16-32(26)15-21)25-5-2-10-35-25/h1-13,15-16H,14H2,(H,30,34)
InChIKeyZTHVFKAIYXAFNM-UHFFFAOYSA-N
XLogP6.60
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.53
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide (CID 66863365) is 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide is O=C(Nc1ccc2nc(-c3cccs3)cn2c1)c1cc2cc(F)ccc2n1Cc1cccc(F)c1.
What is the InChIKey of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide?
The InChIKey is ZTHVFKAIYXAFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4OS/c28-19-4-1-3-17(11-19)14-33-23-8-6-20(29)12-18(23)13-24(33)27(34)30-21-7-9-26-31-22(16-32(26)15-21)25-5-2-10-35-25/h1-13,15-16H,14H2,(H,30,34).
What are the key properties of 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide?
5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 6.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3-fluorophenyl)methyl]-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-6-yl)indole-2-carboxamide is sourced from PubChem (CID 66863365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).