7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one

C32H49N5O — CID 21147119

IUPAC7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
SMILESCCCCCCC(N)CCCCCNc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
InChIInChI=1S/C32H49N5O/c1-3-4-5-12-19-28(33)20-13-9-16-25-34-31-24-23-29-26(2)35-32(37(29)36-31)22-15-7-6-14-21-30(38)27-17-10-8-11-18-27/h8,10-11,17-18,23-24,28H,3-7,9,12-16,19-22,25,33H2,1-2H3,(H,34,36)
InChIKeyXMEXNBRSWVMKFO-UHFFFAOYSA-N
MW519.78 g/mol
LogP7.68
Rot. Bonds20

About 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one

7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one (PubChem CID 21147119) has the molecular formula C32H49N5O and a molecular weight of 519.78 g/mol. Its IUPAC name is 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one.

Molecular Properties

Compound Name7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
PubChem CID21147119
Molecular FormulaC32H49N5O
Molecular Weight519.78 g/mol
Exact Mass519.39
IUPAC Name7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one
SMILESCCCCCCC(N)CCCCCNc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1
InChIInChI=1S/C32H49N5O/c1-3-4-5-12-19-28(33)20-13-9-16-25-34-31-24-23-29-26(2)35-32(37(29)36-31)22-15-7-6-14-21-30(38)27-17-10-8-11-18-27/h8,10-11,17-18,23-24,28H,3-7,9,12-16,19-22,25,33H2,1-2H3,(H,34,36)
InChIKeyXMEXNBRSWVMKFO-UHFFFAOYSA-N
XLogP7.68
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.78
LogP ≤ 57.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one with MolForge

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Related Compounds

1-phenylheptadecan-1-one
CID 577626
3-amino-1-phenyloctadecan-1-one
CID 54040118
3-[[13-(4-benzoylphenyl)-13-oxotridecyl]carbamoyl]heptadecanoic acid
CID 58852603
ethane;1-phenylpentan-1-one
CID 143728184
N-[2-[6-(butylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 7207669
7-[1-methyl-7-(triazol-1-yl)imidazo[1,5-c]pyrimidin-3-yl]-1-phenylheptan-1-one
CID 164667947
18-methyl-1-phenylnonadecan-1-one
CID 141198244
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
4-bromo-1-phenyldecan-1-one
CID 69172735
N-(3,4-diaminodecyl)benzamide
CID 174528291
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1,15-diphenylpentadecane-1,15-dione
CID 159981687

Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one?
The IUPAC name of 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one (CID 21147119) is 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one.
What is the SMILES notation for 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one?
The canonical SMILES for 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one is CCCCCCC(N)CCCCCNc1ccc2c(C)nc(CCCCCCC(=O)c3ccccc3)n2n1.
What is the InChIKey of 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one?
The InChIKey is XMEXNBRSWVMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H49N5O/c1-3-4-5-12-19-28(33)20-13-9-16-25-34-31-24-23-29-26(2)35-32(37(29)36-31)22-15-7-6-14-21-30(38)27-17-10-8-11-18-27/h8,10-11,17-18,23-24,28H,3-7,9,12-16,19-22,25,33H2,1-2H3,(H,34,36).
What are the key properties of 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one?
7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one has a molecular weight of 519.78 g/mol, XLogP of 7.68, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-aminododecylamino)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenylheptan-1-one is sourced from PubChem (CID 21147119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).