4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide

C24H23ClN6O2 — CID 46213948

IUPAC4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnc2cccnn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H23ClN6O2/c25-19-6-8-20(9-7-19)33-21-4-1-3-18(15-21)17-29-11-13-30(14-12-29)24(32)28-23-16-26-22-5-2-10-27-31(22)23/h1-10,15-16H,11-14,17H2,(H,28,32)
InChIKeyLBSYMVOKVDNCEV-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.52
Rot. Bonds5

About 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide (PubChem CID 46213948) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide
PubChem CID46213948
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cnc2cccnn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H23ClN6O2/c25-19-6-8-20(9-7-19)33-21-4-1-3-18(15-21)17-29-11-13-30(14-12-29)24(32)28-23-16-26-22-5-2-10-27-31(22)23/h1-10,15-16H,11-14,17H2,(H,28,32)
InChIKeyLBSYMVOKVDNCEV-UHFFFAOYSA-N
XLogP4.52
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide (CID 46213948) is 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide is O=C(Nc1cnc2cccnn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide?
The InChIKey is LBSYMVOKVDNCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c25-19-6-8-20(9-7-19)33-21-4-1-3-18(15-21)17-29-11-13-30(14-12-29)24(32)28-23-16-26-22-5-2-10-27-31(22)23/h1-10,15-16H,11-14,17H2,(H,28,32).
What are the key properties of 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide?
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide has a molecular weight of 462.94 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-imidazo[1,2-b]pyridazin-3-ylpiperazine-1-carboxamide is sourced from PubChem (CID 46213948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).