[(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C26H25FN4OS — CID 25164740

IUPAC[(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESC=Cc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12
InChIInChI=1S/C26H25FN4OS/c1-3-18-13-20(27)15-30-16-21(29-25(18)30)14-22-11-7-8-12-31(22)26(32)23-24(33-17(2)28-23)19-9-5-4-6-10-19/h3-6,9-10,13,15-16,22H,1,7-8,11-12,14H2,2H3/t22-/m0/s1
InChIKeyVYYKINWGULHGAM-QFIPXVFZSA-N
MW460.58 g/mol
LogP5.79
Rot. Bonds5

About [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25164740) has the molecular formula C26H25FN4OS and a molecular weight of 460.58 g/mol. Its IUPAC name is [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25164740
Molecular FormulaC26H25FN4OS
Molecular Weight460.58 g/mol
Exact Mass460.17
IUPAC Name[(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESC=Cc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12
InChIInChI=1S/C26H25FN4OS/c1-3-18-13-20(27)15-30-16-21(29-25(18)30)14-22-11-7-8-12-31(22)26(32)23-24(33-17(2)28-23)19-9-5-4-6-10-19/h3-6,9-10,13,15-16,22H,1,7-8,11-12,14H2,2H3/t22-/m0/s1
InChIKeyVYYKINWGULHGAM-QFIPXVFZSA-N
XLogP5.79
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25164740) is [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is C=Cc1cc(F)cn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc12.
What is the InChIKey of [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is VYYKINWGULHGAM-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25FN4OS/c1-3-18-13-20(27)15-30-16-21(29-25(18)30)14-22-11-7-8-12-31(22)26(32)23-24(33-17(2)28-23)19-9-5-4-6-10-19/h3-6,9-10,13,15-16,22H,1,7-8,11-12,14H2,2H3/t22-/m0/s1.
What are the key properties of [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 460.58 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(8-ethenyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25164740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).