N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

C24H17FN6O2 — CID 6539409

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C24H17FN6O2/c25-16-5-3-15(4-6-16)23-22(19-2-1-10-27-31(19)30-23)18-9-11-26-24(29-18)28-17-7-8-20-21(14-17)33-13-12-32-20/h1-11,14H,12-13H2,(H,26,28,29)
InChIKeyVCIUEFSUNSUNPA-UHFFFAOYSA-N
MW440.44 g/mol
LogP4.51
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (PubChem CID 6539409) has the molecular formula C24H17FN6O2 and a molecular weight of 440.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
PubChem CID6539409
Molecular FormulaC24H17FN6O2
Molecular Weight440.44 g/mol
Exact Mass440.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1
InChIInChI=1S/C24H17FN6O2/c25-16-5-3-15(4-6-16)23-22(19-2-1-10-27-31(19)30-23)18-9-11-26-24(29-18)28-17-7-8-20-21(14-17)33-13-12-32-20/h1-11,14H,12-13H2,(H,26,28,29)
InChIKeyVCIUEFSUNSUNPA-UHFFFAOYSA-N
XLogP4.51
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine (CID 6539409) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nn3ncccc3c2-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
The InChIKey is VCIUEFSUNSUNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN6O2/c25-16-5-3-15(4-6-16)23-22(19-2-1-10-27-31(19)30-23)18-9-11-26-24(29-18)28-17-7-8-20-21(14-17)33-13-12-32-20/h1-11,14H,12-13H2,(H,26,28,29).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine has a molecular weight of 440.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[2-(4-fluorophenyl)pyrazolo[1,5-b]pyridazin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 6539409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).