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

C21H22F3N3O3 — CID 162763789

IUPACN-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H22F3N3O3/c1-20(2,12-29-3)26-19(28)16-11-27-10-6-8-15(18(27)25-16)14-7-4-5-9-17(14)30-13-21(22,23)24/h4-11H,12-13H2,1-3H3,(H,26,28)
InChIKeyOOFLOXBNGIUWEX-UHFFFAOYSA-N
MW421.42 g/mol
LogP4.10
Rot. Bonds7

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

N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763789) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763789
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOCC(C)(C)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C21H22F3N3O3/c1-20(2,12-29-3)26-19(28)16-11-27-10-6-8-15(18(27)25-16)14-7-4-5-9-17(14)30-13-21(22,23)24/h4-11H,12-13H2,1-3H3,(H,26,28)
InChIKeyOOFLOXBNGIUWEX-UHFFFAOYSA-N
XLogP4.10
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763789) is N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is COCC(C)(C)NC(=O)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OOFLOXBNGIUWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-20(2,12-29-3)26-19(28)16-11-27-10-6-8-15(18(27)25-16)14-7-4-5-9-17(14)30-13-21(22,23)24/h4-11H,12-13H2,1-3H3,(H,26,28).
What are the key properties of N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 421.42 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).