methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate

C14H11N5O3 — CID 162628080

IUPACmethyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2cnc3cccnn23)c1
InChIInChI=1S/C14H11N5O3/c1-22-14(21)9-4-6-15-11(7-9)18-13(20)10-8-16-12-3-2-5-17-19(10)12/h2-8H,1H3,(H,15,18,20)
InChIKeyLAAULIWXQGAOCB-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.16
Rot. Bonds3

About methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate

methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate (PubChem CID 162628080) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate
PubChem CID162628080
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Namemethyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NC(=O)c2cnc3cccnn23)c1
InChIInChI=1S/C14H11N5O3/c1-22-14(21)9-4-6-15-11(7-9)18-13(20)10-8-16-12-3-2-5-17-19(10)12/h2-8H,1H3,(H,15,18,20)
InChIKeyLAAULIWXQGAOCB-UHFFFAOYSA-N
XLogP1.16
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate (CID 162628080) is methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate is COC(=O)c1ccnc(NC(=O)c2cnc3cccnn23)c1.
What is the InChIKey of methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate?
The InChIKey is LAAULIWXQGAOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-22-14(21)9-4-6-15-11(7-9)18-13(20)10-8-16-12-3-2-5-17-19(10)12/h2-8H,1H3,(H,15,18,20).
What are the key properties of methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate?
methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate has a molecular weight of 297.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(imidazo[1,2-b]pyridazine-3-carbonylamino)pyridine-4-carboxylate is sourced from PubChem (CID 162628080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).