8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine

C20H23IN4O — CID 11655570

IUPAC8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1
InChIInChI=1S/C20H23IN4O/c1-15-11-17(21)20-22-16(14-25(20)12-15)13-23-7-9-24(10-8-23)18-5-3-4-6-19(18)26-2/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyKESPBTDDQDBERC-UHFFFAOYSA-N
MW462.34 g/mol
LogP3.58
Rot. Bonds4

About 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine

8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 11655570) has the molecular formula C20H23IN4O and a molecular weight of 462.34 g/mol. Its IUPAC name is 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID11655570
Molecular FormulaC20H23IN4O
Molecular Weight462.34 g/mol
Exact Mass462.09
IUPAC Name8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1
InChIInChI=1S/C20H23IN4O/c1-15-11-17(21)20-22-16(14-25(20)12-15)13-23-7-9-24(10-8-23)18-5-3-4-6-19(18)26-2/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyKESPBTDDQDBERC-UHFFFAOYSA-N
XLogP3.58
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

Sch 28080
CID 108137
8-Fluoro-6-Methoxy-3,4-Dimethyl-1-(3-Methylpyridin-4-Yl)imidazo[1,5-A]quinoxaline
CID 42630191
4-[2-Methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335939
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135335801
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092

Frequently Asked Questions

What is the IUPAC name of 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine (CID 11655570) is 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine is COc1ccccc1N1CCN(Cc2cn3cc(C)cc(I)c3n2)CC1.
What is the InChIKey of 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is KESPBTDDQDBERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN4O/c1-15-11-17(21)20-22-16(14-25(20)12-15)13-23-7-9-24(10-8-23)18-5-3-4-6-19(18)26-2/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine?
8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 462.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 11655570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).