2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

C22H30N6O — CID 68678450

IUPAC2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCCCOc1ccc(Nc2c(C)c(N)nn3cc(C4CCC(N)CC4)nc23)cc1
InChIInChI=1S/C22H30N6O/c1-3-12-29-18-10-8-17(9-11-18)25-20-14(2)21(24)27-28-13-19(26-22(20)28)15-4-6-16(23)7-5-15/h8-11,13,15-16,25H,3-7,12,23H2,1-2H3,(H2,24,27)
InChIKeyCYGIZZMNWOXRAL-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.14
Rot. Bonds6

About 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 68678450) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID68678450
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESCCCOc1ccc(Nc2c(C)c(N)nn3cc(C4CCC(N)CC4)nc23)cc1
InChIInChI=1S/C22H30N6O/c1-3-12-29-18-10-8-17(9-11-18)25-20-14(2)21(24)27-28-13-19(26-22(20)28)15-4-6-16(23)7-5-15/h8-11,13,15-16,25H,3-7,12,23H2,1-2H3,(H2,24,27)
InChIKeyCYGIZZMNWOXRAL-UHFFFAOYSA-N
XLogP4.14
TPSA103.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 68678450) is 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is CCCOc1ccc(Nc2c(C)c(N)nn3cc(C4CCC(N)CC4)nc23)cc1.
What is the InChIKey of 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is CYGIZZMNWOXRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-3-12-29-18-10-8-17(9-11-18)25-20-14(2)21(24)27-28-13-19(26-22(20)28)15-4-6-16(23)7-5-15/h8-11,13,15-16,25H,3-7,12,23H2,1-2H3,(H2,24,27).
What are the key properties of 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine?
2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 394.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)-7-methyl-8-N-(4-propoxyphenyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 68678450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).