N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide

C24H27F3N4O2 — CID 25266566

IUPACN-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)CC(CNC(=O)c1cccc2nc(CC(=O)NCC(F)(F)F)cn12)c1ccccc1
InChIInChI=1S/C24H27F3N4O2/c1-16(2)11-18(17-7-4-3-5-8-17)13-28-23(33)20-9-6-10-21-30-19(14-31(20)21)12-22(32)29-15-24(25,26)27/h3-10,14,16,18H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyRSAFHGVDPFXMSL-UHFFFAOYSA-N
MW460.50 g/mol
LogP4.11
Rot. Bonds9

About N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25266566) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25266566
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC NameN-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)CC(CNC(=O)c1cccc2nc(CC(=O)NCC(F)(F)F)cn12)c1ccccc1
InChIInChI=1S/C24H27F3N4O2/c1-16(2)11-18(17-7-4-3-5-8-17)13-28-23(33)20-9-6-10-21-30-19(14-31(20)21)12-22(32)29-15-24(25,26)27/h3-10,14,16,18H,11-13,15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyRSAFHGVDPFXMSL-UHFFFAOYSA-N
XLogP4.11
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25266566) is N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is CC(C)CC(CNC(=O)c1cccc2nc(CC(=O)NCC(F)(F)F)cn12)c1ccccc1.
What is the InChIKey of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is RSAFHGVDPFXMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-16(2)11-18(17-7-4-3-5-8-17)13-28-23(33)20-9-6-10-21-30-19(14-31(20)21)12-22(32)29-15-24(25,26)27/h3-10,14,16,18H,11-13,15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25266566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).