(2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone

C19H18FN3O2S — CID 155935524

IUPAC(2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone
SMILESO=C([C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12)N1CCOCC1
InChIInChI=1S/C19H18FN3O2S/c20-17(18(24)22-10-12-25-13-11-22)26-19-16(14-6-2-1-3-7-14)21-15-8-4-5-9-23(15)19/h1-9,17H,10-13H2/t17-/m0/s1
InChIKeyJPAXGXRIWZGYPI-KRWDZBQOSA-N
MW371.44 g/mol
LogP3.25
Rot. Bonds4

About (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone

(2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone (PubChem CID 155935524) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name(2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone
PubChem CID155935524
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name(2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone
SMILESO=C([C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12)N1CCOCC1
InChIInChI=1S/C19H18FN3O2S/c20-17(18(24)22-10-12-25-13-11-22)26-19-16(14-6-2-1-3-7-14)21-15-8-4-5-9-23(15)19/h1-9,17H,10-13H2/t17-/m0/s1
InChIKeyJPAXGXRIWZGYPI-KRWDZBQOSA-N
XLogP3.25
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone?
The IUPAC name of (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone (CID 155935524) is (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone.
What is the SMILES notation for (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone?
The canonical SMILES for (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone is O=C([C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12)N1CCOCC1.
What is the InChIKey of (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone?
The InChIKey is JPAXGXRIWZGYPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-17(18(24)22-10-12-25-13-11-22)26-19-16(14-6-2-1-3-7-14)21-15-8-4-5-9-23(15)19/h1-9,17H,10-13H2/t17-/m0/s1.
What are the key properties of (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone?
(2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone has a molecular weight of 371.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-1-morpholin-4-yl-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylethanone is sourced from PubChem (CID 155935524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).