N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine

C20H16F2N6O — CID 70982443

IUPACN-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3OC3CNC3)n2n1
InChIInChI=1S/C20H16F2N6O/c21-14-2-1-3-15(22)19(14)16-5-4-12-8-25-20(28(12)27-16)26-17-11-23-7-6-18(17)29-13-9-24-10-13/h1-8,11,13,24H,9-10H2,(H,25,26)
InChIKeyGPAPAMNDJCEOJQ-UHFFFAOYSA-N
MW394.39 g/mol
LogP3.16
Rot. Bonds5

About N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine

N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70982443) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70982443
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC NameN-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3OC3CNC3)n2n1
InChIInChI=1S/C20H16F2N6O/c21-14-2-1-3-15(22)19(14)16-5-4-12-8-25-20(28(12)27-16)26-17-11-23-7-6-18(17)29-13-9-24-10-13/h1-8,11,13,24H,9-10H2,(H,25,26)
InChIKeyGPAPAMNDJCEOJQ-UHFFFAOYSA-N
XLogP3.16
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (CID 70982443) is N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3OC3CNC3)n2n1.
What is the InChIKey of N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is GPAPAMNDJCEOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c21-14-2-1-3-15(22)19(14)16-5-4-12-8-25-20(28(12)27-16)26-17-11-23-7-6-18(17)29-13-9-24-10-13/h1-8,11,13,24H,9-10H2,(H,25,26).
What are the key properties of N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 394.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70982443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).