6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

C21H25N7O — CID 59624903

IUPAC6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cnc2c(NC3CC3)cc(NC3CCCCC3)nn12
InChIInChI=1S/C21H25N7O/c29-21(26-16-8-10-22-11-9-16)18-13-23-20-17(24-15-6-7-15)12-19(27-28(18)20)25-14-4-2-1-3-5-14/h8-15,24H,1-7H2,(H,25,27)(H,22,26,29)
InChIKeyMMABOAIRJLLSAG-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.70
Rot. Bonds6

About 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide

6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 59624903) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID59624903
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1ccncc1)c1cnc2c(NC3CC3)cc(NC3CCCCC3)nn12
InChIInChI=1S/C21H25N7O/c29-21(26-16-8-10-22-11-9-16)18-13-23-20-17(24-15-6-7-15)12-19(27-28(18)20)25-14-4-2-1-3-5-14/h8-15,24H,1-7H2,(H,25,27)(H,22,26,29)
InChIKeyMMABOAIRJLLSAG-UHFFFAOYSA-N
XLogP3.70
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide (CID 59624903) is 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1ccncc1)c1cnc2c(NC3CC3)cc(NC3CCCCC3)nn12.
What is the InChIKey of 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is MMABOAIRJLLSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c29-21(26-16-8-10-22-11-9-16)18-13-23-20-17(24-15-6-7-15)12-19(27-28(18)20)25-14-4-2-1-3-5-14/h8-15,24H,1-7H2,(H,25,27)(H,22,26,29).
What are the key properties of 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide?
6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-8-(cyclopropylamino)-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 59624903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).