6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

C23H29N5O3 — CID 155551507

IUPAC6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4CCN(C)CC4)cc3)n2c1
InChIInChI=1S/C23H29N5O3/c1-17-22(28-16-20(30-3)8-9-21(28)25-17)23(29)24-10-15-31-19-6-4-18(5-7-19)27-13-11-26(2)12-14-27/h4-9,16H,10-15H2,1-3H3,(H,24,29)
InChIKeyXTCWKTKLHLGNAR-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.21
Rot. Bonds7

About 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide

6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155551507) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155551507
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4CCN(C)CC4)cc3)n2c1
InChIInChI=1S/C23H29N5O3/c1-17-22(28-16-20(30-3)8-9-21(28)25-17)23(29)24-10-15-31-19-6-4-18(5-7-19)27-13-11-26(2)12-14-27/h4-9,16H,10-15H2,1-3H3,(H,24,29)
InChIKeyXTCWKTKLHLGNAR-UHFFFAOYSA-N
XLogP2.21
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 155551507) is 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is COc1ccc2nc(C)c(C(=O)NCCOc3ccc(N4CCN(C)CC4)cc3)n2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XTCWKTKLHLGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-17-22(28-16-20(30-3)8-9-21(28)25-17)23(29)24-10-15-31-19-6-4-18(5-7-19)27-13-11-26(2)12-14-27/h4-9,16H,10-15H2,1-3H3,(H,24,29).
What are the key properties of 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155551507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).