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

C20H20F3N3O3 — CID 162763779

IUPACN-(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)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H20F3N3O3/c1-19(2,11-27)25-18(28)15-10-26-9-5-7-14(17(26)24-15)13-6-3-4-8-16(13)29-12-20(21,22)23/h3-10,27H,11-12H2,1-2H3,(H,25,28)
InChIKeyACLVTRSCVCYAIP-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.44
Rot. Bonds6

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

N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763779) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763779
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC NameN-(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)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H20F3N3O3/c1-19(2,11-27)25-18(28)15-10-26-9-5-7-14(17(26)24-15)13-6-3-4-8-16(13)29-12-20(21,22)23/h3-10,27H,11-12H2,1-2H3,(H,25,28)
InChIKeyACLVTRSCVCYAIP-UHFFFAOYSA-N
XLogP3.44
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763779) is 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 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 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)c1cn2cccc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ACLVTRSCVCYAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-19(2,11-27)25-18(28)15-10-26-9-5-7-14(17(26)24-15)13-6-3-4-8-16(13)29-12-20(21,22)23/h3-10,27H,11-12H2,1-2H3,(H,25,28).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
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 407.39 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 162763779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).