6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C21H25FN8O2 — CID 59624837

IUPAC6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NC3COC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
InChIInChI=1S/C21H25FN8O2/c22-15-8-24-6-5-16(15)28-21(31)18-9-25-20-17(26-14-10-32-11-14)7-19(29-30(18)20)27-13-3-1-12(23)2-4-13/h5-9,12-14,26H,1-4,10-11,23H2,(H,27,29)(H,24,28,31)
InChIKeyZSCPAOFXKWFPJE-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.01
Rot. Bonds6

About 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624837) has the molecular formula C21H25FN8O2 and a molecular weight of 440.48 g/mol. Its IUPAC name is 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624837
Molecular FormulaC21H25FN8O2
Molecular Weight440.48 g/mol
Exact Mass440.21
IUPAC Name6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
SMILESNC1CCC(Nc2cc(NC3COC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
InChIInChI=1S/C21H25FN8O2/c22-15-8-24-6-5-16(15)28-21(31)18-9-25-20-17(26-14-10-32-11-14)7-19(29-30(18)20)27-13-3-1-12(23)2-4-13/h5-9,12-14,26H,1-4,10-11,23H2,(H,27,29)(H,24,28,31)
InChIKeyZSCPAOFXKWFPJE-UHFFFAOYSA-N
XLogP2.01
TPSA131.49 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

8-(cyclobutylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624397
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
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(methylcarbamoylamino)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 70827879
6-[(4-aminocyclohexyl)amino]-8-[(2,5-dimethylpyrazol-3-yl)amino]-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624327
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-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624709
6,8-bis[(4-aminocyclohexyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624447
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[(1R,2R)-2-hydroxycyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624401
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624326
6-[[4-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 68780196
propyl 2-[4-[[8-(cyclopropylamino)-3-[(3-fluoro-4-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]acetate
CID 59624594
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(2-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624654

Frequently Asked Questions

What is the IUPAC name of 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 59624837) is 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is NC1CCC(Nc2cc(NC3COC3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1.
What is the InChIKey of 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZSCPAOFXKWFPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O2/c22-15-8-24-6-5-16(15)28-21(31)18-9-25-20-17(26-14-10-32-11-14)7-19(29-30(18)20)27-13-3-1-12(23)2-4-13/h5-9,12-14,26H,1-4,10-11,23H2,(H,27,29)(H,24,28,31).
What are the key properties of 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-(oxetan-3-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).