2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H28F3N5O — CID 53466676

IUPAC2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(N3CCN(c4ccccc4)CC3)ccn2c1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H28F3N5O/c1-2-24-26(27(37)32-19-20-8-10-21(11-9-20)28(29,30)31)36-13-12-23(18-25(36)33-24)35-16-14-34(15-17-35)22-6-4-3-5-7-22/h3-13,18H,2,14-17,19H2,1H3,(H,32,37)
InChIKeyWPUWFDCIUYNHTA-UHFFFAOYSA-N
MW507.56 g/mol
LogP5.17
Rot. Bonds6

About 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53466676) has the molecular formula C28H28F3N5O and a molecular weight of 507.56 g/mol. Its IUPAC name is 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53466676
Molecular FormulaC28H28F3N5O
Molecular Weight507.56 g/mol
Exact Mass507.22
IUPAC Name2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2cc(N3CCN(c4ccccc4)CC3)ccn2c1C(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H28F3N5O/c1-2-24-26(27(37)32-19-20-8-10-21(11-9-20)28(29,30)31)36-13-12-23(18-25(36)33-24)35-16-14-34(15-17-35)22-6-4-3-5-7-22/h3-13,18H,2,14-17,19H2,1H3,(H,32,37)
InChIKeyWPUWFDCIUYNHTA-UHFFFAOYSA-N
XLogP5.17
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
2-ethyl-N-[[4-[4-(4-phosphanylphenyl)piperazin-1-yl]phenyl]methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 144782840
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442269
7-chloro-N-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90683102
7-chloro-2-ethyl-N-[[2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155525751
2-ethyl-8-(trifluoromethyl)-N-[[4-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90480139
2,7-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121274552
ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate
CID 123431310
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466679
2-ethyl-7-methyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009979
7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009986

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53466676) is 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2cc(N3CCN(c4ccccc4)CC3)ccn2c1C(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WPUWFDCIUYNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N5O/c1-2-24-26(27(37)32-19-20-8-10-21(11-9-20)28(29,30)31)36-13-12-23(18-25(36)33-24)35-16-14-34(15-17-35)22-6-4-3-5-7-22/h3-13,18H,2,14-17,19H2,1H3,(H,32,37).
What are the key properties of 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 507.56 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53466676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).