(3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one

C22H15F4N3O2 — CID 149439403

IUPAC(3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1
InChIInChI=1S/C22H15F4N3O2/c23-18-2-1-9-28-21(18)17(14-3-6-16(7-4-14)31-22(24,25)26)12-19(30)15-5-8-20-27-10-11-29(20)13-15/h1-11,13,17H,12H2/t17-/m0/s1
InChIKeyYVLHYNQPDRFSOF-KRWDZBQOSA-N
MW429.37 g/mol
LogP5.17
Rot. Bonds6

About (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one

(3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one (PubChem CID 149439403) has the molecular formula C22H15F4N3O2 and a molecular weight of 429.37 g/mol. Its IUPAC name is (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name(3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one
PubChem CID149439403
Molecular FormulaC22H15F4N3O2
Molecular Weight429.37 g/mol
Exact Mass429.11
IUPAC Name(3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one
SMILESO=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1
InChIInChI=1S/C22H15F4N3O2/c23-18-2-1-9-28-21(18)17(14-3-6-16(7-4-14)31-22(24,25)26)12-19(30)15-5-8-20-27-10-11-29(20)13-15/h1-11,13,17H,12H2/t17-/m0/s1
InChIKeyYVLHYNQPDRFSOF-KRWDZBQOSA-N
XLogP5.17
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one?
The IUPAC name of (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one (CID 149439403) is (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one is O=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1ncccc1F)c1ccc2nccn2c1.
What is the InChIKey of (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one?
The InChIKey is YVLHYNQPDRFSOF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H15F4N3O2/c23-18-2-1-9-28-21(18)17(14-3-6-16(7-4-14)31-22(24,25)26)12-19(30)15-5-8-20-27-10-11-29(20)13-15/h1-11,13,17H,12H2/t17-/m0/s1.
What are the key properties of (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one?
(3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one has a molecular weight of 429.37 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-fluoro-2-pyridinyl)-1-imidazo[1,2-a]pyridin-6-yl-3-[4-(trifluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 149439403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).