6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H21N7O — CID 143846758

IUPAC6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc3c(Nc4ccccc4)cc(N)nn23)cc1
InChIInChI=1S/C21H21N7O/c1-27(2)16-10-8-15(9-11-16)25-21(29)18-13-23-20-17(12-19(22)26-28(18)20)24-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H2,22,26)(H,25,29)
InChIKeyQMYSDRCSZSGVLX-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.37
Rot. Bonds5

About 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide

6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 143846758) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID143846758
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc3c(Nc4ccccc4)cc(N)nn23)cc1
InChIInChI=1S/C21H21N7O/c1-27(2)16-10-8-15(9-11-16)25-21(29)18-13-23-20-17(12-19(22)26-28(18)20)24-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H2,22,26)(H,25,29)
InChIKeyQMYSDRCSZSGVLX-UHFFFAOYSA-N
XLogP3.37
TPSA100.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Related Compounds

6-amino-8-anilino-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide;cyclohexanamine
CID 143846846
6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846794
6-amino-8-(benzylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846848
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624739
4-amino-N-[4-(dimethylamino)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43644133
8-anilino-6-(cyclohexylamino)-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846754
4-amino-N-[4-[4-[[4-(dimethylamino)benzoyl]amino]anilino]phenyl]benzamide
CID 129035701
2-[[4-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 4544849
8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144795147
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(2-fluoro-6-oxo-1H-pyridin-4-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624716
6-anilino-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176629502

Frequently Asked Questions

What is the IUPAC name of 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 143846758) is 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is CN(C)c1ccc(NC(=O)c2cnc3c(Nc4ccccc4)cc(N)nn23)cc1.
What is the InChIKey of 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is QMYSDRCSZSGVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-27(2)16-10-8-15(9-11-16)25-21(29)18-13-23-20-17(12-19(22)26-28(18)20)24-14-6-4-3-5-7-14/h3-13,24H,1-2H3,(H2,22,26)(H,25,29).
What are the key properties of 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 387.45 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 143846758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).