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

C19H13ClF2N8 — CID 118981843

IUPAC4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H13ClF2N8/c1-9(28-19-14(6-23)18(24)26-8-27-19)13-5-16-25-7-15(20)30(16)29-17(13)10-2-11(21)4-12(22)3-10/h2-5,7-9H,1H3,(H3,24,26,27,28)
InChIKeyQWFDLOJGPWXCRD-UHFFFAOYSA-N
MW426.82 g/mol
LogP3.74
Rot. Bonds4

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

4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 118981843) has the molecular formula C19H13ClF2N8 and a molecular weight of 426.82 g/mol. Its IUPAC name is 4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID118981843
Molecular FormulaC19H13ClF2N8
Molecular Weight426.82 g/mol
Exact Mass426.09
IUPAC Name4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESCC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(F)c1
InChIInChI=1S/C19H13ClF2N8/c1-9(28-19-14(6-23)18(24)26-8-27-19)13-5-16-25-7-15(20)30(16)29-17(13)10-2-11(21)4-12(22)3-10/h2-5,7-9H,1H3,(H3,24,26,27,28)
InChIKeyQWFDLOJGPWXCRD-UHFFFAOYSA-N
XLogP3.74
TPSA117.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 53.74
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-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile (CID 118981843) is 4-amino-6-[1-[3-chloro-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-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile is CC(Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2nc1-c1cc(F)cc(F)c1.
What is the InChIKey of 4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is QWFDLOJGPWXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF2N8/c1-9(28-19-14(6-23)18(24)26-8-27-19)13-5-16-25-7-15(20)30(16)29-17(13)10-2-11(21)4-12(22)3-10/h2-5,7-9H,1H3,(H3,24,26,27,28).
What are the key properties of 4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[1-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 426.82 g/mol, XLogP of 3.74, 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-[3-chloro-6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-7-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 118981843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).