6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine

C26H30N6O — CID 59304441

IUPAC6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine
SMILESCCOc1ccc(Nc2c(-c3ccccc3)c(NC3CCC(N)CC3)nn3ccnc23)cc1
InChIInChI=1S/C26H30N6O/c1-2-33-22-14-12-20(13-15-22)29-24-23(18-6-4-3-5-7-18)25(31-32-17-16-28-26(24)32)30-21-10-8-19(27)9-11-21/h3-7,12-17,19,21,29H,2,8-11,27H2,1H3,(H,30,31)
InChIKeyNYUJKJCBLPUGLY-UHFFFAOYSA-N
MW442.57 g/mol
LogP5.22
Rot. Bonds7

About 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine

6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 59304441) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID59304441
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine
SMILESCCOc1ccc(Nc2c(-c3ccccc3)c(NC3CCC(N)CC3)nn3ccnc23)cc1
InChIInChI=1S/C26H30N6O/c1-2-33-22-14-12-20(13-15-22)29-24-23(18-6-4-3-5-7-18)25(31-32-17-16-28-26(24)32)30-21-10-8-19(27)9-11-21/h3-7,12-17,19,21,29H,2,8-11,27H2,1H3,(H,30,31)
InChIKeyNYUJKJCBLPUGLY-UHFFFAOYSA-N
XLogP5.22
TPSA89.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine with MolForge

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Related Compounds

7-(4-aminocyclohexyl)-8-N-(4-propylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
CID 68523042
4-N-(3-ethoxy-2-pyridinyl)cyclohexane-1,4-diamine
CID 113370712
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
6-chloro-N-(4-ethoxyphenyl)imidazo[1,2-b]pyridazin-8-amine
CID 86611708
5-N-(4-aminocyclohexyl)-6-ethyl-7-N-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 10049731
4-N-cyclopentyl-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149265
5-N-(4-aminocyclohexyl)-6-methyl-7-N-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 68827442
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
N-cyclopropyl-1-(4-ethoxyphenyl)imidazol-2-amine
CID 106555769
6-N-(4-aminocyclohexyl)-8-N-(4-chloro-3-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
CID 91476034
ethyl 2-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 168899835
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine (CID 59304441) is 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine is CCOc1ccc(Nc2c(-c3ccccc3)c(NC3CCC(N)CC3)nn3ccnc23)cc1.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is NYUJKJCBLPUGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-2-33-22-14-12-20(13-15-22)29-24-23(18-6-4-3-5-7-18)25(31-32-17-16-28-26(24)32)30-21-10-8-19(27)9-11-21/h3-7,12-17,19,21,29H,2,8-11,27H2,1H3,(H,30,31).
What are the key properties of 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine?
6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 442.57 g/mol, XLogP of 5.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-8-N-(4-ethoxyphenyl)-7-phenylimidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 59304441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).