methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate

C25H28N6O3 — CID 73057123

IUPACmethyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cnc3c(N4CCOCC4)cc(-c4ccc5[nH]ccc5c4)nn23)CC1
InChIInChI=1S/C25H28N6O3/c1-33-25(32)30-8-5-17(6-9-30)23-16-27-24-22(29-10-12-34-13-11-29)15-21(28-31(23)24)18-2-3-20-19(14-18)4-7-26-20/h2-4,7,14-17,26H,5-6,8-13H2,1H3
InChIKeySIOQDUBNSYAGQN-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.66
Rot. Bonds3

About methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate

methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate (PubChem CID 73057123) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
PubChem CID73057123
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Namemethyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(c2cnc3c(N4CCOCC4)cc(-c4ccc5[nH]ccc5c4)nn23)CC1
InChIInChI=1S/C25H28N6O3/c1-33-25(32)30-8-5-17(6-9-30)23-16-27-24-22(29-10-12-34-13-11-29)15-21(28-31(23)24)18-2-3-20-19(14-18)4-7-26-20/h2-4,7,14-17,26H,5-6,8-13H2,1H3
InChIKeySIOQDUBNSYAGQN-UHFFFAOYSA-N
XLogP3.66
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate
CID 73057435
[4-[6-[3-(hydroxymethyl)-4-methoxyphenyl]-8-[(3S)-3-methylmorpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 73053936
2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 117093423
4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
N-[2-(1H-indol-5-yl)-5-[(2S)-2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carbonyl]phenyl]morpholine-4-carboxamide
CID 59688784
4-[6-(1H-indol-5-yl)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 44520824
6-(1H-indol-5-yl)-4-morpholin-4-ylpteridin-2-amine
CID 24794753
4-[6-(1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 172556651
tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)piperidine-1-carboxylate
CID 168797881
tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 168922087
4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 142735039
methyl 1-[6-butyl-3-(1H-indol-5-yl)pyrazin-2-yl]piperidine-4-carboxylate
CID 168975072

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate (CID 73057123) is methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate is COC(=O)N1CCC(c2cnc3c(N4CCOCC4)cc(-c4ccc5[nH]ccc5c4)nn23)CC1.
What is the InChIKey of methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
The InChIKey is SIOQDUBNSYAGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-33-25(32)30-8-5-17(6-9-30)23-16-27-24-22(29-10-12-34-13-11-29)15-21(28-31(23)24)18-2-3-20-19(14-18)4-7-26-20/h2-4,7,14-17,26H,5-6,8-13H2,1H3.
What are the key properties of methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate?
methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate has a molecular weight of 460.54 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(1H-indol-5-yl)-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 73057123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).