N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C23H23N5O3 — CID 144734852

IUPACN-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3ccc(-c4ccccc4OCCCO)nn23)c1
InChIInChI=1S/C23H23N5O3/c1-15-12-16(2)25-21(13-15)26-23(30)19-14-24-22-9-8-18(27-28(19)22)17-6-3-4-7-20(17)31-11-5-10-29/h3-4,6-9,12-14,29H,5,10-11H2,1-2H3,(H,25,26,30)
InChIKeyZBSPKDJXLFOAHI-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.42
Rot. Bonds7

About N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 144734852) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID144734852
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2cnc3ccc(-c4ccccc4OCCCO)nn23)c1
InChIInChI=1S/C23H23N5O3/c1-15-12-16(2)25-21(13-15)26-23(30)19-14-24-22-9-8-18(27-28(19)22)17-6-3-4-7-20(17)31-11-5-10-29/h3-4,6-9,12-14,29H,5,10-11H2,1-2H3,(H,25,26,30)
InChIKeyZBSPKDJXLFOAHI-UHFFFAOYSA-N
XLogP3.42
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(2R)-2,3-dihydroxypropoxy]phenyl]-N-(4-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 71525950
N-(4,6-dimethyl-2-pyridinyl)-6-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide;ethane;6-(2-fluorophenyl)-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 144734910
6-[2-(3-hydroxypropoxy)phenyl]-2-methyl-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 123761197
6-[2-(2,3-dihydroxypropoxy)phenyl]-2-methyl-N-(6-methyl-2-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 123372483
N,6-diphenylimidazo[1,2-b]pyridazine-3-carboxamide
CID 66940922
6-(2,6-difluorophenyl)-N-[6-(propylamino)-2-pyridinyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708580
2-[2-(aminomethyl)phenoxy]-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114931741
4-amino-N-(4,6-dimethyl-2-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 114931717
N-(4,6-dimethyl-2-pyridinyl)-2-hydroxybenzamide
CID 13440640
N-[6-(2-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidine-2-carboxamide
CID 126709041
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
6-(2,4-dimethylphenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854355

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 144734852) is N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is Cc1cc(C)nc(NC(=O)c2cnc3ccc(-c4ccccc4OCCCO)nn23)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZBSPKDJXLFOAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-12-16(2)25-21(13-15)26-23(30)19-14-24-22-9-8-18(27-28(19)22)17-6-3-4-7-20(17)31-11-5-10-29/h3-4,6-9,12-14,29H,5,10-11H2,1-2H3,(H,25,26,30).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-6-[2-(3-hydroxypropoxy)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 144734852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).