N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C22H19F6N3O3 — CID 162763726

IUPACN-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H19F6N3O3/c23-21(24,25)12-34-18-6-2-1-5-15(18)16-8-13(22(26,27)28)9-31-10-17(30-19(16)31)20(32)29-14-4-3-7-33-11-14/h1-2,5-6,8-10,14H,3-4,7,11-12H2,(H,29,32)/t14-/m0/s1
InChIKeyLDEGTMJUXHJUPI-AWEZNQCLSA-N
MW487.40 g/mol
LogP4.87
Rot. Bonds5

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

N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763726) has the molecular formula C22H19F6N3O3 and a molecular weight of 487.40 g/mol. Its IUPAC name is N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763726
Molecular FormulaC22H19F6N3O3
Molecular Weight487.40 g/mol
Exact Mass487.13
IUPAC NameN-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCCOC1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C22H19F6N3O3/c23-21(24,25)12-34-18-6-2-1-5-15(18)16-8-13(22(26,27)28)9-31-10-17(30-19(16)31)20(32)29-14-4-3-7-33-11-14/h1-2,5-6,8-10,14H,3-4,7,11-12H2,(H,29,32)/t14-/m0/s1
InChIKeyLDEGTMJUXHJUPI-AWEZNQCLSA-N
XLogP4.87
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.40
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162763726) is N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CCCOC1)c1cn2cc(C(F)(F)F)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LDEGTMJUXHJUPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H19F6N3O3/c23-21(24,25)12-34-18-6-2-1-5-15(18)16-8-13(22(26,27)28)9-31-10-17(30-19(16)31)20(32)29-14-4-3-7-33-11-14/h1-2,5-6,8-10,14H,3-4,7,11-12H2,(H,29,32)/t14-/m0/s1.
What are the key properties of N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 487.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-oxan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).