[(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

C20H15F3N4O2S — CID 90285212

IUPAC[(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C20H15F3N4O2S/c21-12-3-4-14-15(10-12)30-19(25-14)29-16-11-27(8-5-20(16,22)23)18(28)13-2-1-7-26-9-6-24-17(13)26/h1-4,6-7,9-10,16H,5,8,11H2/t16-/m0/s1
InChIKeyMQKKEUUZBZCFLS-INIZCTEOSA-N
MW432.43 g/mol
LogP4.01
Rot. Bonds3

About [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

[(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (PubChem CID 90285212) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.

Molecular Properties

Compound Name[(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
PubChem CID90285212
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name[(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C20H15F3N4O2S/c21-12-3-4-14-15(10-12)30-19(25-14)29-16-11-27(8-5-20(16,22)23)18(28)13-2-1-7-26-9-6-24-17(13)26/h1-4,6-7,9-10,16H,5,8,11H2/t16-/m0/s1
InChIKeyMQKKEUUZBZCFLS-INIZCTEOSA-N
XLogP4.01
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The IUPAC name of [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (CID 90285212) is [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.
What is the SMILES notation for [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The canonical SMILES for [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is O=C(c1cccn2ccnc12)N1CCC(F)(F)[C@@H](Oc2nc3ccc(F)cc3s2)C1.
What is the InChIKey of [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The InChIKey is MQKKEUUZBZCFLS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c21-12-3-4-14-15(10-12)30-19(25-14)29-16-11-27(8-5-20(16,22)23)18(28)13-2-1-7-26-9-6-24-17(13)26/h1-4,6-7,9-10,16H,5,8,11H2/t16-/m0/s1.
What are the key properties of [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
[(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone has a molecular weight of 432.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4,4-difluoro-3-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is sourced from PubChem (CID 90285212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).