4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile

C19H14F2N8 — CID 130387073

IUPAC4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2nccn2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H14F2N8/c1-10(27-19-15(8-22)18(23)25-9-26-19)14-7-16-24-2-3-29(16)28-17(14)11-4-12(20)6-13(21)5-11/h2-7,9-10H,1H3,(H3,23,25,26,27)
InChIKeyJTVFDDWGMBRRMJ-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 130387073) has the molecular formula C19H14F2N8 and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID130387073
Molecular FormulaC19H14F2N8
Molecular Weight392.37 g/mol
Exact Mass392.13
IUPAC Name4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2nccn2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H14F2N8/c1-10(27-19-15(8-22)18(23)25-9-26-19)14-7-16-24-2-3-29(16)28-17(14)11-4-12(20)6-13(21)5-11/h2-7,9-10H,1H3,(H3,23,25,26,27)
InChIKeyJTVFDDWGMBRRMJ-UHFFFAOYSA-N
XLogP3.09
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile (CID 130387073) is 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)c1cc2nccn2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is JTVFDDWGMBRRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N8/c1-10(27-19-15(8-22)18(23)25-9-26-19)14-7-16-24-2-3-29(16)28-17(14)11-4-12(20)6-13(21)5-11/h2-7,9-10H,1H3,(H3,23,25,26,27).
What are the key properties of 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 392.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 130387073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).