N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H22F3N3O3 — CID 174167775

IUPACN-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cc(-c2ccccc2OCC(F)(F)F)c2nc(C(=O)NC(C)(C)C)cn2c1
InChIInChI=1S/C21H22F3N3O3/c1-20(2,3)26-19(28)16-11-27-10-13(29-4)9-15(18(27)25-16)14-7-5-6-8-17(14)30-12-21(22,23)24/h5-11H,12H2,1-4H3,(H,26,28)
InChIKeyLDBDSBZZYCRCTO-UHFFFAOYSA-N
MW421.42 g/mol
LogP4.48
Rot. Bonds5

About N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 174167775) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID174167775
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC NameN-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cc(-c2ccccc2OCC(F)(F)F)c2nc(C(=O)NC(C)(C)C)cn2c1
InChIInChI=1S/C21H22F3N3O3/c1-20(2,3)26-19(28)16-11-27-10-13(29-4)9-15(18(27)25-16)14-7-5-6-8-17(14)30-12-21(22,23)24/h5-11H,12H2,1-4H3,(H,26,28)
InChIKeyLDBDSBZZYCRCTO-UHFFFAOYSA-N
XLogP4.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 174167775) is N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is COc1cc(-c2ccccc2OCC(F)(F)F)c2nc(C(=O)NC(C)(C)C)cn2c1.
What is the InChIKey of N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LDBDSBZZYCRCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-20(2,3)26-19(28)16-11-27-10-13(29-4)9-15(18(27)25-16)14-7-5-6-8-17(14)30-12-21(22,23)24/h5-11H,12H2,1-4H3,(H,26,28).
What are the key properties of N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-tert-butyl-6-methoxy-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 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methoxy-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 174167775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).