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

C25H26FN7O — CID 59624739

IUPAC6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C(=O)Nc4ccc(F)cc4)n3n2)CC1
InChIInChI=1S/C25H26FN7O/c26-16-6-10-20(11-7-16)31-25(34)22-15-28-24-21(29-18-4-2-1-3-5-18)14-23(32-33(22)24)30-19-12-8-17(27)9-13-19/h1-7,10-11,14-15,17,19,29H,8-9,12-13,27H2,(H,30,32)(H,31,34)
InChIKeyVOIOHCILZVIVMJ-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.55
Rot. Bonds6

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

6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624739) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624739
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C(=O)Nc4ccc(F)cc4)n3n2)CC1
InChIInChI=1S/C25H26FN7O/c26-16-6-10-20(11-7-16)31-25(34)22-15-28-24-21(29-18-4-2-1-3-5-18)14-23(32-33(22)24)30-19-12-8-17(27)9-13-19/h1-7,10-11,14-15,17,19,29H,8-9,12-13,27H2,(H,30,32)(H,31,34)
InChIKeyVOIOHCILZVIVMJ-UHFFFAOYSA-N
XLogP4.55
TPSA109.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[(4-aminocyclohexyl)amino]-8-anilino-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624479
6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624447
6-[(4-aminocyclohexyl)amino]-8-[4-(4-methylpiperazin-1-yl)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624467
8-anilino-6-(cyclohexylamino)-N-pyridin-3-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846754
6-[(2-aminocyclohexyl)amino]-8-anilino-N-(2-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 68762286
6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624474
6-[(4-aminocyclohexyl)amino]-8-[[6-[(4-aminocyclohexyl)amino]-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624662
6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624815
6-[(4-aminocyclohexyl)amino]-8-[[6-(cyclohexylamino)-2-pyridinyl]amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 70827849
6-[(4-aminocyclohexyl)amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624561
6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846794

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624739) is 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cc(Nc3ccccc3)c3ncc(C(=O)Nc4ccc(F)cc4)n3n2)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VOIOHCILZVIVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c26-16-6-10-20(11-7-16)31-25(34)22-15-28-24-21(29-18-4-2-1-3-5-18)14-23(32-33(22)24)30-19-12-8-17(27)9-13-19/h1-7,10-11,14-15,17,19,29H,8-9,12-13,27H2,(H,30,32)(H,31,34).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).