4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

C22H30N6O — CID 71612719

IUPAC4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
SMILESCC(C)CCOc1ccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)cn1
InChIInChI=1S/C22H30N6O/c1-15(2)11-12-29-22-10-3-16(13-25-22)19-14-24-21-9-8-20(27-28(19)21)26-18-6-4-17(23)5-7-18/h3,8-10,13-15,17-18H,4-7,11-12,23H2,1-2H3,(H,26,27)
InChIKeyIUQCJOUFZUPEME-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.90
Rot. Bonds7

About 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine

4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (PubChem CID 71612719) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
PubChem CID71612719
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
SMILESCC(C)CCOc1ccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)cn1
InChIInChI=1S/C22H30N6O/c1-15(2)11-12-29-22-10-3-16(13-25-22)19-14-24-21-9-8-20(27-28(19)21)26-18-6-4-17(23)5-7-18/h3,8-10,13-15,17-18H,4-7,11-12,23H2,1-2H3,(H,26,27)
InChIKeyIUQCJOUFZUPEME-UHFFFAOYSA-N
XLogP3.90
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine (CID 71612719) is 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is CC(C)CCOc1ccc(-c2cnc3ccc(NC4CCC(N)CC4)nn23)cn1.
What is the InChIKey of 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
The InChIKey is IUQCJOUFZUPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-15(2)11-12-29-22-10-3-16(13-25-22)19-14-24-21-9-8-20(27-28(19)21)26-18-6-4-17(23)5-7-18/h3,8-10,13-15,17-18H,4-7,11-12,23H2,1-2H3,(H,26,27).
What are the key properties of 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine?
4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine has a molecular weight of 394.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[6-(3-methylbutoxy)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71612719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).