N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide

C30H32F3N5O — CID 83279698

IUPACN-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C30H32F3N5O/c1-29(2,3)35-28(39)37-16-14-36(15-17-37)20-25-27(21-8-5-4-6-9-21)34-26-13-12-23(19-38(25)26)22-10-7-11-24(18-22)30(31,32)33/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)
InChIKeyBMIYTQYBFKIXEP-UHFFFAOYSA-N
MW535.61 g/mol
LogP6.31
Rot. Bonds4

About N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide

N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 83279698) has the molecular formula C30H32F3N5O and a molecular weight of 535.61 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
PubChem CID83279698
Molecular FormulaC30H32F3N5O
Molecular Weight535.61 g/mol
Exact Mass535.26
IUPAC NameN-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C30H32F3N5O/c1-29(2,3)35-28(39)37-16-14-36(15-17-37)20-25-27(21-8-5-4-6-9-21)34-26-13-12-23(19-38(25)26)22-10-7-11-24(18-22)30(31,32)33/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)
InChIKeyBMIYTQYBFKIXEP-UHFFFAOYSA-N
XLogP6.31
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83278393
[4-[[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83278524
2-(4-chlorophenoxy)-1-[4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83278414
N-(2,6-dimethylphenyl)-4-[[6-(3-methylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
CID 83286760
(2-fluorophenyl)-[4-[[2-(3-methoxyphenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274694
2-methoxy-1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]ethanone
CID 83274417
[4-[[2-(4-fluorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83279111
1-[4-[[2-(3-nitrophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 83279176
1-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286730
[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 83275121
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83279820

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide (CID 83279698) is N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn23)CC1.
What is the InChIKey of N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
The InChIKey is BMIYTQYBFKIXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O/c1-29(2,3)35-28(39)37-16-14-36(15-17-37)20-25-27(21-8-5-4-6-9-21)34-26-13-12-23(19-38(25)26)22-10-7-11-24(18-22)30(31,32)33/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39).
What are the key properties of N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?
N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 535.61 g/mol, XLogP of 6.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 83279698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).