6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

C15H15F2N7O — CID 126709316

IUPAC6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1cccnn1)C1=CNC2C=CC(N3CCC(F)(F)C3)=NN12
InChIInChI=1S/C15H15F2N7O/c16-15(17)5-7-23(9-15)13-4-3-12-18-8-10(24(12)22-13)14(25)20-11-2-1-6-19-21-11/h1-4,6,8,12,18H,5,7,9H2,(H,20,21,25)
InChIKeyVBJNSWSZXXPMOQ-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.71
Rot. Bonds2

About 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide

6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 126709316) has the molecular formula C15H15F2N7O and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID126709316
Molecular FormulaC15H15F2N7O
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC Name6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
SMILESO=C(Nc1cccnn1)C1=CNC2C=CC(N3CCC(F)(F)C3)=NN12
InChIInChI=1S/C15H15F2N7O/c16-15(17)5-7-23(9-15)13-4-3-12-18-8-10(24(12)22-13)14(25)20-11-2-1-6-19-21-11/h1-4,6,8,12,18H,5,7,9H2,(H,20,21,25)
InChIKeyVBJNSWSZXXPMOQ-UHFFFAOYSA-N
XLogP0.71
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide (CID 126709316) is 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is O=C(Nc1cccnn1)C1=CNC2C=CC(N3CCC(F)(F)C3)=NN12.
What is the InChIKey of 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is VBJNSWSZXXPMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O/c16-15(17)5-7-23(9-15)13-4-3-12-18-8-10(24(12)22-13)14(25)20-11-2-1-6-19-21-11/h1-4,6,8,12,18H,5,7,9H2,(H,20,21,25).
What are the key properties of 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide?
6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidin-1-yl)-N-pyridazin-3-yl-1,8a-dihydroimidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 126709316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).