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

C21H24N4O — CID 90571752

IUPAC(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cnc4ccccn34)CC2)cc1C
InChIInChI=1S/C21H24N4O/c1-16-6-7-18(13-17(16)2)21(26)24-11-9-23(10-12-24)15-19-14-22-20-5-3-4-8-25(19)20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyHGTZDNJAMNVLKW-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.91
Rot. Bonds3

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

(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 90571752) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID90571752
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3cnc4ccccn34)CC2)cc1C
InChIInChI=1S/C21H24N4O/c1-16-6-7-18(13-17(16)2)21(26)24-11-9-23(10-12-24)15-19-14-22-20-5-3-4-8-25(19)20/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyHGTZDNJAMNVLKW-UHFFFAOYSA-N
XLogP2.91
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571771
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889
(2-fluorophenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 90571769
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90571697
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 90571811
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 90571872
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 19294943
(3,4-dimethylphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398984
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 90571849
(3,4-dimethylphenyl)-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 129043284
[4-(imidazo[1,2-a]pyridin-3-ylmethoxy)phenyl]-morpholin-4-ylmethanone
CID 162636193

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 90571752) is (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(Cc3cnc4ccccn34)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is HGTZDNJAMNVLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-6-7-18(13-17(16)2)21(26)24-11-9-23(10-12-24)15-19-14-22-20-5-3-4-8-25(19)20/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90571752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).