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

C21H28N8O2 — CID 59624815

IUPAC6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NCCCO)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1
InChIInChI=1S/C21H28N8O2/c22-14-2-4-15(5-3-14)26-19-12-17(24-8-1-11-30)20-25-13-18(29(20)28-19)21(31)27-16-6-9-23-10-7-16/h6-7,9-10,12-15,24,30H,1-5,8,11,22H2,(H,26,28)(H,23,27,31)
InChIKeyJXLLUMUGNYAIIC-UHFFFAOYSA-N
MW424.51 g/mol
LogP1.85
Rot. Bonds8

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

6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624815) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624815
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NCCCO)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1
InChIInChI=1S/C21H28N8O2/c22-14-2-4-15(5-3-14)26-19-12-17(24-8-1-11-30)20-25-13-18(29(20)28-19)21(31)27-16-6-9-23-10-7-16/h6-7,9-10,12-15,24,30H,1-5,8,11,22H2,(H,26,28)(H,23,27,31)
InChIKeyJXLLUMUGNYAIIC-UHFFFAOYSA-N
XLogP1.85
TPSA142.49 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 51.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624447
6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624903
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-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624561
6-[(4-aminocyclohexyl)amino]-8-anilino-N-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624739
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624837
6-(cyclohexylamino)-8-[4-(dimethylamino)anilino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 143846794
6-[[4-[(3R)-3-amino-4-hydroxy-2-oxobutyl]cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624609
6-[(4-aminocyclohexyl)amino]-8-(4-cyanoanilino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624474
N-(2-chloro-4-pyridinyl)-8-(cyclopropylamino)-6-[[4-(2-oxopropyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624758
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-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-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624815) is 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cc(NCCCO)c3ncc(C(=O)Nc4ccncc4)n3n2)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is JXLLUMUGNYAIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c22-14-2-4-15(5-3-14)26-19-12-17(24-8-1-11-30)20-25-13-18(29(20)28-19)21(31)27-16-6-9-23-10-7-16/h6-7,9-10,12-15,24,30H,1-5,8,11,22H2,(H,26,28)(H,23,27,31).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 1.85, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-8-(3-hydroxypropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).