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

C19H21IN4O — CID 11583188

IUPAC6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
InChIInChI=1S/C19H21IN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLAVWIAQCYKFCMG-UHFFFAOYSA-N
MW448.31 g/mol
LogP3.27
Rot. Bonds4

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

6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 11583188) has the molecular formula C19H21IN4O and a molecular weight of 448.31 g/mol. Its IUPAC name is 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID11583188
Molecular FormulaC19H21IN4O
Molecular Weight448.31 g/mol
Exact Mass448.08
IUPAC Name6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1
InChIInChI=1S/C19H21IN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3
InChIKeyLAVWIAQCYKFCMG-UHFFFAOYSA-N
XLogP3.27
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 11583188) is 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is COc1ccccc1N1CCN(Cc2cn3cc(I)ccc3n2)CC1.
What is the InChIKey of 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is LAVWIAQCYKFCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IN4O/c1-25-18-5-3-2-4-17(18)23-10-8-22(9-11-23)13-16-14-24-12-15(20)6-7-19(24)21-16/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 448.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 11583188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).