[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C23H22N4O2S — CID 56533058

IUPAC[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C23H22N4O2S/c28-23(27-11-4-6-18(14-27)22-24-9-12-30-22)17-5-3-7-20(13-17)29-16-19-15-26-10-2-1-8-21(26)25-19/h1-3,5,7-10,12-13,15,18H,4,6,11,14,16H2
InChIKeyLJZINHLVOFSPRM-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.39
Rot. Bonds5

About [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 56533058) has the molecular formula C23H22N4O2S and a molecular weight of 418.52 g/mol. Its IUPAC name is [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID56533058
Molecular FormulaC23H22N4O2S
Molecular Weight418.52 g/mol
Exact Mass418.15
IUPAC Name[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C23H22N4O2S/c28-23(27-11-4-6-18(14-27)22-24-9-12-30-22)17-5-3-7-20(13-17)29-16-19-15-26-10-2-1-8-21(26)25-19/h1-3,5,7-10,12-13,15,18H,4,6,11,14,16H2
InChIKeyLJZINHLVOFSPRM-UHFFFAOYSA-N
XLogP4.39
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 56533058) is [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCCC(c2nccs2)C1.
What is the InChIKey of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is LJZINHLVOFSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S/c28-23(27-11-4-6-18(14-27)22-24-9-12-30-22)17-5-3-7-20(13-17)29-16-19-15-26-10-2-1-8-21(26)25-19/h1-3,5,7-10,12-13,15,18H,4,6,11,14,16H2.
What are the key properties of [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 418.52 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56533058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).