methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate

C25H31N5O5 — CID 73057435

IUPACmethyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cnc3c(N4CCOCC4)cc(-c4ccc(OC)c(CO)c4)nn23)CC1
InChIInChI=1S/C25H31N5O5/c1-33-23-4-3-18(13-19(23)16-31)20-14-21(28-9-11-35-12-10-28)24-26-15-22(30(24)27-20)17-5-7-29(8-6-17)25(32)34-2/h3-4,13-15,17,31H,5-12,16H2,1-2H3
InChIKeyOQMVHMRKQAFRMW-UHFFFAOYSA-N
MW481.55 g/mol
LogP2.68
Rot. Bonds5

About methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate

methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate (PubChem CID 73057435) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
PubChem CID73057435
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Namemethyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cnc3c(N4CCOCC4)cc(-c4ccc(OC)c(CO)c4)nn23)CC1
InChIInChI=1S/C25H31N5O5/c1-33-23-4-3-18(13-19(23)16-31)20-14-21(28-9-11-35-12-10-28)24-26-15-22(30(24)27-20)17-5-7-29(8-6-17)25(32)34-2/h3-4,13-15,17,31H,5-12,16H2,1-2H3
InChIKeyOQMVHMRKQAFRMW-UHFFFAOYSA-N
XLogP2.68
TPSA101.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate (CID 73057435) is methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cnc3c(N4CCOCC4)cc(-c4ccc(OC)c(CO)c4)nn23)CC1.
What is the InChIKey of methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
The InChIKey is OQMVHMRKQAFRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-33-23-4-3-18(13-19(23)16-31)20-14-21(28-9-11-35-12-10-28)24-26-15-22(30(24)27-20)17-5-7-29(8-6-17)25(32)34-2/h3-4,13-15,17,31H,5-12,16H2,1-2H3.
What are the key properties of methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate has a molecular weight of 481.55 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 73057435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).