5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

C26H24F3N5O2S — CID 118112602

IUPAC5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccc4nccn4c3)CC2)s1
InChIInChI=1S/C26H24F3N5O2S/c27-26(28,29)21-4-2-1-3-18(21)15-31-24(35)22-7-6-20(37-22)17-32-11-13-33(14-12-32)25(36)19-5-8-23-30-9-10-34(23)16-19/h1-10,16H,11-15,17H2,(H,31,35)
InChIKeyNXKYGQMYEYBGEC-UHFFFAOYSA-N
MW527.57 g/mol
LogP4.30
Rot. Bonds6

About 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide

5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112602) has the molecular formula C26H24F3N5O2S and a molecular weight of 527.57 g/mol. Its IUPAC name is 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112602
Molecular FormulaC26H24F3N5O2S
Molecular Weight527.57 g/mol
Exact Mass527.16
IUPAC Name5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccc4nccn4c3)CC2)s1
InChIInChI=1S/C26H24F3N5O2S/c27-26(28,29)21-4-2-1-3-18(21)15-31-24(35)22-7-6-20(37-22)17-32-11-13-33(14-12-32)25(36)19-5-8-23-30-9-10-34(23)16-19/h1-10,16H,11-15,17H2,(H,31,35)
InChIKeyNXKYGQMYEYBGEC-UHFFFAOYSA-N
XLogP4.30
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide (CID 118112602) is 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1ccc(CN2CCN(C(=O)c3ccc4nccn4c3)CC2)s1.
What is the InChIKey of 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is NXKYGQMYEYBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2S/c27-26(28,29)21-4-2-1-3-18(21)15-31-24(35)22-7-6-20(37-22)17-32-11-13-33(14-12-32)25(36)19-5-8-23-30-9-10-34(23)16-19/h1-10,16H,11-15,17H2,(H,31,35).
What are the key properties of 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 527.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(imidazo[1,2-a]pyridine-6-carbonyl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).