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

C20H19ClF3N3O3 — CID 162763731

IUPAC6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H19ClF3N3O3/c1-19(2,10-28)26-18(29)15-9-27-8-12(21)7-14(17(27)25-15)13-5-3-4-6-16(13)30-11-20(22,23)24/h3-9,28H,10-11H2,1-2H3,(H,26,29)
InChIKeyPSHDKGWRGLJLCY-UHFFFAOYSA-N
MW441.84 g/mol
LogP4.10
Rot. Bonds6

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

6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763731) has the molecular formula C20H19ClF3N3O3 and a molecular weight of 441.84 g/mol. Its IUPAC name is 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763731
Molecular FormulaC20H19ClF3N3O3
Molecular Weight441.84 g/mol
Exact Mass441.11
IUPAC Name6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(CO)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H19ClF3N3O3/c1-19(2,10-28)26-18(29)15-9-27-8-12(21)7-14(17(27)25-15)13-5-3-4-6-16(13)30-11-20(22,23)24/h3-9,28H,10-11H2,1-2H3,(H,26,29)
InChIKeyPSHDKGWRGLJLCY-UHFFFAOYSA-N
XLogP4.10
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763731) is 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(CO)NC(=O)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is PSHDKGWRGLJLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3O3/c1-19(2,10-28)26-18(29)15-9-27-8-12(21)7-14(17(27)25-15)13-5-3-4-6-16(13)30-11-20(22,23)24/h3-9,28H,10-11H2,1-2H3,(H,26,29).
What are the key properties of 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 441.84 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).