6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H19ClF3N3O3 — CID 162763723

IUPAC6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)CCOC1
InChIInChI=1S/C21H19ClF3N3O3/c1-20(6-7-30-11-20)27-19(29)16-10-28-9-13(22)8-15(18(28)26-16)14-4-2-3-5-17(14)31-12-21(23,24)25/h2-5,8-10H,6-7,11-12H2,1H3,(H,27,29)
InChIKeyOKOPVTHMQIXLLN-UHFFFAOYSA-N
MW453.85 g/mol
LogP4.50
Rot. Bonds5

About 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763723) has the molecular formula C21H19ClF3N3O3 and a molecular weight of 453.85 g/mol. Its IUPAC name is 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763723
Molecular FormulaC21H19ClF3N3O3
Molecular Weight453.85 g/mol
Exact Mass453.11
IUPAC Name6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)CCOC1
InChIInChI=1S/C21H19ClF3N3O3/c1-20(6-7-30-11-20)27-19(29)16-10-28-9-13(22)8-15(18(28)26-16)14-4-2-3-5-17(14)31-12-21(23,24)25/h2-5,8-10H,6-7,11-12H2,1H3,(H,27,29)
InChIKeyOKOPVTHMQIXLLN-UHFFFAOYSA-N
XLogP4.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.85
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Telacebec
CID 68234908
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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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7-chloro-2-ethyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
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CID 117859396
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763723) is 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CC1(NC(=O)c2cn3cc(Cl)cc(-c4ccccc4OCC(F)(F)F)c3n2)CCOC1.
What is the InChIKey of 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OKOPVTHMQIXLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3O3/c1-20(6-7-30-11-20)27-19(29)16-10-28-9-13(22)8-15(18(28)26-16)14-4-2-3-5-17(14)31-12-21(23,24)25/h2-5,8-10H,6-7,11-12H2,1H3,(H,27,29).
What are the key properties of 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 453.85 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methyloxolan-3-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).