6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

C29H28Cl2F4N4O2 — CID 163201978

IUPAC6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl
InChIInChI=1S/C29H27ClF4N4O2.ClH/c1-2-24-27(38-17-21(30)6-10-26(38)36-24)28(39)35-16-18-3-9-25(23(31)15-18)37-13-11-20(12-14-37)19-4-7-22(8-5-19)40-29(32,33)34;/h3-10,15,17,20H,2,11-14,16H2,1H3,(H,35,39);1H
InChIKeyKEOSELDVPATOOH-UHFFFAOYSA-N
MW611.47 g/mol
LogP7.32
Rot. Bonds7

About 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride

6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (PubChem CID 163201978) has the molecular formula C29H28Cl2F4N4O2 and a molecular weight of 611.47 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
PubChem CID163201978
Molecular FormulaC29H28Cl2F4N4O2
Molecular Weight611.47 g/mol
Exact Mass610.15
IUPAC Name6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl
InChIInChI=1S/C29H27ClF4N4O2.ClH/c1-2-24-27(38-17-21(30)6-10-26(38)36-24)28(39)35-16-18-3-9-25(23(31)15-18)37-13-11-20(12-14-37)19-4-7-22(8-5-19)40-29(32,33)34;/h3-10,15,17,20H,2,11-14,16H2,1H3,(H,35,39);1H
InChIKeyKEOSELDVPATOOH-UHFFFAOYSA-N
XLogP7.32
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.47
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

Telacebec
CID 68234908
Cambritaxestat
CID 122199235
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
7-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234668
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234745
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235232
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
Aminoimidazo[1,2-a]pyridine deriv. 23
CID 5330641
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 52935300
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride (CID 163201978) is 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)c(F)c1.Cl.
What is the InChIKey of 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
The InChIKey is KEOSELDVPATOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF4N4O2.ClH/c1-2-24-27(38-17-21(30)6-10-26(38)36-24)28(39)35-16-18-3-9-25(23(31)15-18)37-13-11-20(12-14-37)19-4-7-22(8-5-19)40-29(32,33)34;/h3-10,15,17,20H,2,11-14,16H2,1H3,(H,35,39);1H.
What are the key properties of 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride?
6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride has a molecular weight of 611.47 g/mol, XLogP of 7.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[[3-fluoro-4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 163201978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).