6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C24H24N10O — CID 59624474

IUPAC6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESN#Cc1ccc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncn4)cnc23)cc1
InChIInChI=1S/C24H24N10O/c25-12-15-1-5-17(6-2-15)30-19-11-22(31-18-7-3-16(26)4-8-18)33-34-20(13-28-23(19)34)24(35)32-21-9-10-27-14-29-21/h1-2,5-6,9-11,13-14,16,18,30H,3-4,7-8,26H2,(H,31,33)(H,27,29,32,35)
InChIKeyBHSXQNNUEXRAJE-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.07
Rot. Bonds6

About 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624474) has the molecular formula C24H24N10O and a molecular weight of 468.53 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624474
Molecular FormulaC24H24N10O
Molecular Weight468.53 g/mol
Exact Mass468.21
IUPAC Name6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESN#Cc1ccc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncn4)cnc23)cc1
InChIInChI=1S/C24H24N10O/c25-12-15-1-5-17(6-2-15)30-19-11-22(31-18-7-3-16(26)4-8-18)33-34-20(13-28-23(19)34)24(35)32-21-9-10-27-14-29-21/h1-2,5-6,9-11,13-14,16,18,30H,3-4,7-8,26H2,(H,31,33)(H,27,29,32,35)
InChIKeyBHSXQNNUEXRAJE-UHFFFAOYSA-N
XLogP3.07
TPSA158.94 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624561
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
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624739
8-(cyclopropylamino)-6-[[4-(pyridin-3-ylcarbamoylamino)cyclohexyl]amino]-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624363
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-[(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-anilino-N-(6-morpholin-4-yl-3-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624479
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-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846794
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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624474) is 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is N#Cc1ccc(Nc2cc(NC3CCC(N)CC3)nn3c(C(=O)Nc4ccncn4)cnc23)cc1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is BHSXQNNUEXRAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N10O/c25-12-15-1-5-17(6-2-15)30-19-11-22(31-18-7-3-16(26)4-8-18)33-34-20(13-28-23(19)34)24(35)32-21-9-10-27-14-29-21/h1-2,5-6,9-11,13-14,16,18,30H,3-4,7-8,26H2,(H,31,33)(H,27,29,32,35).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.07, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).