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

C24H18F2N6 — CID 89183077

IUPACN-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESCc1cc(N)cc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)c1
InChIInChI=1S/C24H18F2N6/c1-14-9-15(11-16(27)10-14)18-7-8-28-13-22(18)30-24-29-12-17-5-6-21(31-32(17)24)23-19(25)3-2-4-20(23)26/h2-13H,27H2,1H3,(H,29,30)
InChIKeyWQLUNJCVHZPXEC-UHFFFAOYSA-N
MW428.45 g/mol
LogP5.37
Rot. Bonds4

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

N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 89183077) has the molecular formula C24H18F2N6 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID89183077
Molecular FormulaC24H18F2N6
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC NameN-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESCc1cc(N)cc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)c1
InChIInChI=1S/C24H18F2N6/c1-14-9-15(11-16(27)10-14)18-7-8-28-13-22(18)30-24-29-12-17-5-6-21(31-32(17)24)23-19(25)3-2-4-20(23)26/h2-13H,27H2,1H3,(H,29,30)
InChIKeyWQLUNJCVHZPXEC-UHFFFAOYSA-N
XLogP5.37
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (CID 89183077) is N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is Cc1cc(N)cc(-c2ccncc2Nc2ncc3ccc(-c4c(F)cccc4F)nn23)c1.
What is the InChIKey of N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is WQLUNJCVHZPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6/c1-14-9-15(11-16(27)10-14)18-7-8-28-13-22(18)30-24-29-12-17-5-6-21(31-32(17)24)23-19(25)3-2-4-20(23)26/h2-13H,27H2,1H3,(H,29,30).
What are the key properties of N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 428.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-5-methylphenyl)-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 89183077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).