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

C20H17ClF3N3O3 — CID 162763732

IUPAC6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H17ClF3N3O3/c21-12-7-15(14-3-1-2-4-17(14)30-11-20(22,23)24)18-26-16(9-27(18)8-12)19(28)25-13-5-6-29-10-13/h1-4,7-9,13H,5-6,10-11H2,(H,25,28)/t13-/m0/s1
InChIKeyUJSCCCOLXKVUON-ZDUSSCGKSA-N
MW439.82 g/mol
LogP4.11
Rot. Bonds5

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

6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162763732) has the molecular formula C20H17ClF3N3O3 and a molecular weight of 439.82 g/mol. Its IUPAC name is 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID162763732
Molecular FormulaC20H17ClF3N3O3
Molecular Weight439.82 g/mol
Exact Mass439.09
IUPAC Name6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(N[C@H]1CCOC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1
InChIInChI=1S/C20H17ClF3N3O3/c21-12-7-15(14-3-1-2-4-17(14)30-11-20(22,23)24)18-26-16(9-27(18)8-12)19(28)25-13-5-6-29-10-13/h1-4,7-9,13H,5-6,10-11H2,(H,25,28)/t13-/m0/s1
InChIKeyUJSCCCOLXKVUON-ZDUSSCGKSA-N
XLogP4.11
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 162763732) is 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(N[C@H]1CCOC1)c1cn2cc(Cl)cc(-c3ccccc3OCC(F)(F)F)c2n1.
What is the InChIKey of 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UJSCCCOLXKVUON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H17ClF3N3O3/c21-12-7-15(14-3-1-2-4-17(14)30-11-20(22,23)24)18-26-16(9-27(18)8-12)19(28)25-13-5-6-29-10-13/h1-4,7-9,13H,5-6,10-11H2,(H,25,28)/t13-/m0/s1.
What are the key properties of 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 439.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3S)-oxolan-3-yl]-8-[2-(2,2,2-trifluoroethoxy)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162763732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).