N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide

C28H33F3N4O2 — CID 25267271

IUPACN-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)CC(CNC(=O)c1cccc2nc(CC(=O)N3CCCC(C(F)(F)F)C3)cn12)c1ccccc1
InChIInChI=1S/C28H33F3N4O2/c1-19(2)14-21(20-8-4-3-5-9-20)16-32-27(37)24-11-6-12-25-33-23(18-35(24)25)15-26(36)34-13-7-10-22(17-34)28(29,30)31/h3-6,8-9,11-12,18-19,21-22H,7,10,13-17H2,1-2H3,(H,32,37)
InChIKeyVBQUPFAHUAMPTN-UHFFFAOYSA-N
MW514.59 g/mol
LogP5.24
Rot. Bonds8

About N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide

N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide (PubChem CID 25267271) has the molecular formula C28H33F3N4O2 and a molecular weight of 514.59 g/mol. Its IUPAC name is N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide
PubChem CID25267271
Molecular FormulaC28H33F3N4O2
Molecular Weight514.59 g/mol
Exact Mass514.26
IUPAC NameN-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide
SMILESCC(C)CC(CNC(=O)c1cccc2nc(CC(=O)N3CCCC(C(F)(F)F)C3)cn12)c1ccccc1
InChIInChI=1S/C28H33F3N4O2/c1-19(2)14-21(20-8-4-3-5-9-20)16-32-27(37)24-11-6-12-25-33-23(18-35(24)25)15-26(36)34-13-7-10-22(17-34)28(29,30)31/h3-6,8-9,11-12,18-19,21-22H,7,10,13-17H2,1-2H3,(H,32,37)
InChIKeyVBQUPFAHUAMPTN-UHFFFAOYSA-N
XLogP5.24
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 55.24
H-Bond Donors ≤ 51
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-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The IUPAC name of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide (CID 25267271) is N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide.
What is the SMILES notation for N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The canonical SMILES for N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide is CC(C)CC(CNC(=O)c1cccc2nc(CC(=O)N3CCCC(C(F)(F)F)C3)cn12)c1ccccc1.
What is the InChIKey of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
The InChIKey is VBQUPFAHUAMPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O2/c1-19(2)14-21(20-8-4-3-5-9-20)16-32-27(37)24-11-6-12-25-33-23(18-35(24)25)15-26(36)34-13-7-10-22(17-34)28(29,30)31/h3-6,8-9,11-12,18-19,21-22H,7,10,13-17H2,1-2H3,(H,32,37).
What are the key properties of N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide?
N-(4-methyl-2-phenylpentyl)-2-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide has a molecular weight of 514.59 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 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-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazo[1,2-a]pyridine-5-carboxamide is sourced from PubChem (CID 25267271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).