6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C23H29N9O2 — CID 59624695

IUPAC6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncn4)n3n2)CC1
InChIInChI=1S/C23H29N9O2/c24-11-17(33)9-14-1-3-16(4-2-14)29-21-10-18(28-15-5-6-15)22-26-12-19(32(22)31-21)23(34)30-20-7-8-25-13-27-20/h7-8,10,12-16,28H,1-6,9,11,24H2,(H,29,31)(H,25,27,30,34)
InChIKeyOGFMAIKYZCPIJV-UHFFFAOYSA-N
MW463.55 g/mol
LogP2.23
Rot. Bonds9

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

6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624695) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624695
Molecular FormulaC23H29N9O2
Molecular Weight463.55 g/mol
Exact Mass463.24
IUPAC Name6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESNCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncn4)n3n2)CC1
InChIInChI=1S/C23H29N9O2/c24-11-17(33)9-14-1-3-16(4-2-14)29-21-10-18(28-15-5-6-15)22-26-12-19(32(22)31-21)23(34)30-20-7-8-25-13-27-20/h7-8,10,12-16,28H,1-6,9,11,24H2,(H,29,31)(H,25,27,30,34)
InChIKeyOGFMAIKYZCPIJV-UHFFFAOYSA-N
XLogP2.23
TPSA152.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 52.23
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

N-cyclopropyl-6-[[1-(5-fluoropyrimidin-2-yl)-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 155512660
6-(Cyclohexylamino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 140943149
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 141505852
N-(1,3-dimethylpyrazol-4-yl)-6-[[(3R)-piperidin-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 162666365
N-(4-(2-(cyclopropanecarboxamido)-[1,2,4]triazolo[1,5-a]pyridin-5-yl)phenyl)pyrazine-2-carboxamide
CID 58374838
6-[[4-[[(2S)-2-amino-2-phenylacetyl]amino]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 44182884
6-[[4-(5-amino-2-oxopentyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624311
6-[[4-[(3R)-3-amino-2-oxo-3-phenylpropyl]cyclohexyl]amino]-8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624323
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-(3-methyl-2-oxobutyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624326
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[[4-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624329
8-(cyclopropylamino)-N-(2-fluoro-4-pyridinyl)-6-[[4-(4-methyl-2-oxopentyl)cyclohexyl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624344
8-(cyclopropylamino)-N-(3-fluoro-4-pyridinyl)-6-[(4-methylcyclohexyl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624347

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624695) is 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is NCC(=O)CC1CCC(Nc2cc(NC3CC3)c3ncc(C(=O)Nc4ccncn4)n3n2)CC1.
What is the InChIKey of 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is OGFMAIKYZCPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2/c24-11-17(33)9-14-1-3-16(4-2-14)29-21-10-18(28-15-5-6-15)22-26-12-19(32(22)31-21)23(34)30-20-7-8-25-13-27-20/h7-8,10,12-16,28H,1-6,9,11,24H2,(H,29,31)(H,25,27,30,34).
What are the key properties of 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 463.55 g/mol, XLogP of 2.23, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-amino-2-oxopropyl)cyclohexyl]amino]-8-(cyclopropylamino)-N-pyrimidin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).