6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H18ClF3N4O2 — CID 162763711

IUPAC6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H18ClF3N4O2/c1-20(2,10-26)11-27-19(30)16-9-29-8-13(22)7-15(18(29)28-16)14-5-3-4-6-17(14)31-12-21(23,24)25/h3-9H,11-12H2,1-2H3,(H,27,30)
InChIKeyHGRRUMFLXOFKHM-UHFFFAOYSA-N
MW450.85 g/mol
LogP4.88
Rot. Bonds6

About 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763711) has the molecular formula C21H18ClF3N4O2 and a molecular weight of 450.85 g/mol. Its IUPAC name is 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763711
Molecular FormulaC21H18ClF3N4O2
Molecular Weight450.85 g/mol
Exact Mass450.11
IUPAC Name6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C#N)CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H18ClF3N4O2/c1-20(2,10-26)11-27-19(30)16-9-29-8-13(22)7-15(18(29)28-16)14-5-3-4-6-17(14)31-12-21(23,24)25/h3-9H,11-12H2,1-2H3,(H,27,30)
InChIKeyHGRRUMFLXOFKHM-UHFFFAOYSA-N
XLogP4.88
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Telacebec
CID 68234908
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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
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6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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(18F)Pbr 111
CID 24944913
2-(6-chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo(1,2-a)pyridin-3-yl)-N,N-diethylacetamide
CID 24895169
Pbr-111
CID 24895171
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
7-chloro-2-ethyl-N-[[4-[[4-(trifluoromethoxy)phenyl]methylamino]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53467345
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67403725
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenoxy]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763711) is 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(C#N)CNC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HGRRUMFLXOFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O2/c1-20(2,10-26)11-27-19(30)16-9-29-8-13(22)7-15(18(29)28-16)14-5-3-4-6-17(14)31-12-21(23,24)25/h3-9H,11-12H2,1-2H3,(H,27,30).
What are the key properties of 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 450.85 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyano-2-methylpropyl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).