[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

C24H23N5O2 — CID 9319947

IUPAC[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H23N5O2/c30-24(28-15-13-27(14-16-28)21-8-10-25-11-9-21)19-4-6-22(7-5-19)31-18-20-17-29-12-2-1-3-23(29)26-20/h1-12,17H,13-16,18H2
InChIKeyKXQBXTHDQYBFDQ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.27
Rot. Bonds5

About [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone

[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (PubChem CID 9319947) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
PubChem CID9319947
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H23N5O2/c30-24(28-15-13-27(14-16-28)21-8-10-25-11-9-21)19-4-6-22(7-5-19)31-18-20-17-29-12-2-1-3-23(29)26-20/h1-12,17H,13-16,18H2
InChIKeyKXQBXTHDQYBFDQ-UHFFFAOYSA-N
XLogP3.27
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 17401303
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
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-prop-2-enylbenzamide
CID 9400053
[4-(2-phenylethynyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38027713
N-cyclopropyl-2-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 55457840
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)pyridine-4-carboxylic acid
CID 81445806
(4-tert-butylphenyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 134056660
[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-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 55859064

Frequently Asked Questions

What is the IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone (CID 9319947) is [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone is O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
The InChIKey is KXQBXTHDQYBFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c30-24(28-15-13-27(14-16-28)21-8-10-25-11-9-21)19-4-6-22(7-5-19)31-18-20-17-29-12-2-1-3-23(29)26-20/h1-12,17H,13-16,18H2.
What are the key properties of [4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone?
[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone has a molecular weight of 413.48 g/mol, XLogP of 3.27, 5 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-pyridin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 9319947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).