[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

C18H12F5N3O — CID 164709553

IUPAC[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNc1nc2ccc(-c3cccc(F)c3C(F)(F)F)cn2c1C(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H12F5N3O/c19-11-3-1-2-9(14(11)18(21,22)23)8-4-5-13-25-17(24)15(26(13)7-8)16(27)10-6-12(10)20/h1-5,7,10,12H,6,24H2/t10-,12+/m1/s1
InChIKeyRVDBSKFDKAENMO-PWSUYJOCSA-N
MW381.30 g/mol
LogP4.28
Rot. Bonds3

About [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone

[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (PubChem CID 164709553) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.

Molecular Properties

Compound Name[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
PubChem CID164709553
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC Name[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
SMILESNc1nc2ccc(-c3cccc(F)c3C(F)(F)F)cn2c1C(=O)[C@@H]1C[C@@H]1F
InChIInChI=1S/C18H12F5N3O/c19-11-3-1-2-9(14(11)18(21,22)23)8-4-5-13-25-17(24)15(26(13)7-8)16(27)10-6-12(10)20/h1-5,7,10,12H,6,24H2/t10-,12+/m1/s1
InChIKeyRVDBSKFDKAENMO-PWSUYJOCSA-N
XLogP4.28
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The IUPAC name of [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone (CID 164709553) is [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone.
What is the SMILES notation for [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The canonical SMILES for [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is Nc1nc2ccc(-c3cccc(F)c3C(F)(F)F)cn2c1C(=O)[C@@H]1C[C@@H]1F.
What is the InChIKey of [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
The InChIKey is RVDBSKFDKAENMO-PWSUYJOCSA-N. The full InChI is InChI=1S/C18H12F5N3O/c19-11-3-1-2-9(14(11)18(21,22)23)8-4-5-13-25-17(24)15(26(13)7-8)16(27)10-6-12(10)20/h1-5,7,10,12H,6,24H2/t10-,12+/m1/s1.
What are the key properties of [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone?
[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone has a molecular weight of 381.30 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone is sourced from PubChem (CID 164709553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).