[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C24H24N4O2S — CID 17401303

IUPAC[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C24H24N4O2S/c29-24(27-12-10-26(11-13-27)15-19-8-14-31-18-19)20-4-6-22(7-5-20)30-17-21-16-28-9-2-1-3-23(28)25-21/h1-9,14,16,18H,10-13,15,17H2
InChIKeyCJOMYKFFLBPJAO-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.93
Rot. Bonds6

About [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 17401303) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID17401303
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C24H24N4O2S/c29-24(27-12-10-26(11-13-27)15-19-8-14-31-18-19)20-4-6-22(7-5-20)30-17-21-16-28-9-2-1-3-23(28)25-21/h1-9,14,16,18H,10-13,15,17H2
InChIKeyCJOMYKFFLBPJAO-UHFFFAOYSA-N
XLogP3.93
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9319947
(4-pyrrol-1-ylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 24517457
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
(4-benzylpiperazin-1-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 9041632
[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86973942
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
pyrrolidin-1-yl-[4-(thiophen-3-ylmethoxy)phenyl]methanone
CID 126830676
N-cyclopropyl-2-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 55457840
cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 56512574
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226694
1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 17401303) is [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is CJOMYKFFLBPJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-24(27-12-10-26(11-13-27)15-19-8-14-31-18-19)20-4-6-22(7-5-20)30-17-21-16-28-9-2-1-3-23(28)25-21/h1-9,14,16,18H,10-13,15,17H2.
What are the key properties of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 432.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 17401303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).