6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C26H30N8O — CID 143846794

IUPAC6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2cc(NC3CCCCC3)nn3c(C(=O)Nc4ccncc4)cnc23)cc1
InChIInChI=1S/C26H30N8O/c1-33(2)21-10-8-19(9-11-21)29-22-16-24(30-18-6-4-3-5-7-18)32-34-23(17-28-25(22)34)26(35)31-20-12-14-27-15-13-20/h8-18,29H,3-7H2,1-2H3,(H,30,32)(H,27,31,35)
InChIKeyITOHSWJMNCWQGW-UHFFFAOYSA-N
MW470.58 g/mol
LogP4.93
Rot. Bonds7

About 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 143846794) has the molecular formula C26H30N8O and a molecular weight of 470.58 g/mol. Its IUPAC name is 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID143846794
Molecular FormulaC26H30N8O
Molecular Weight470.58 g/mol
Exact Mass470.25
IUPAC Name6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2cc(NC3CCCCC3)nn3c(C(=O)Nc4ccncc4)cnc23)cc1
InChIInChI=1S/C26H30N8O/c1-33(2)21-10-8-19(9-11-21)29-22-16-24(30-18-6-4-3-5-7-18)32-34-23(17-28-25(22)34)26(35)31-20-12-14-27-15-13-20/h8-18,29H,3-7H2,1-2H3,(H,30,32)(H,27,31,35)
InChIKeyITOHSWJMNCWQGW-UHFFFAOYSA-N
XLogP4.93
TPSA99.48 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624903
6-[(4-methylcyclohexyl)amino]-N-pyridin-4-yl-8-(4-pyrrolidin-1-ylanilino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 143846675
8-anilino-6-(cyclohexylamino)-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846754
6-[(4-aminocyclohexyl)amino]-8-[4-(4-methylpiperazin-1-yl)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624467
6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624447
6-amino-8-anilino-N-[4-(dimethylamino)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 143846758
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624739
8-anilino-6-(cyclohexylamino)-N-[3-(2-methyl-1,3-oxazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 144795147
6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624815
6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624474
8-(cyclopropylamino)-N-(2-iodo-4-pyridinyl)-6-(oxan-4-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89007263
N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(prop-1-ynylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 143846673

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 143846794) is 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is CN(C)c1ccc(Nc2cc(NC3CCCCC3)nn3c(C(=O)Nc4ccncc4)cnc23)cc1.
What is the InChIKey of 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ITOHSWJMNCWQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O/c1-33(2)21-10-8-19(9-11-21)29-22-16-24(30-18-6-4-3-5-7-18)32-34-23(17-28-25(22)34)26(35)31-20-12-14-27-15-13-20/h8-18,29H,3-7H2,1-2H3,(H,30,32)(H,27,31,35).
What are the key properties of 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 4.93, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 143846794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).