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

C17H10BrF2N5 — CID 70982399

IUPACN-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3Br)n2n1
InChIInChI=1S/C17H10BrF2N5/c18-11-6-7-21-9-15(11)23-17-22-8-10-4-5-14(24-25(10)17)16-12(19)2-1-3-13(16)20/h1-9H,(H,22,23)
InChIKeyASPPRHLMDQOYEC-UHFFFAOYSA-N
MW402.20 g/mol
LogP4.58
Rot. Bonds3

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

N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (PubChem CID 70982399) has the molecular formula C17H10BrF2N5 and a molecular weight of 402.20 g/mol. Its IUPAC name is N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.

Molecular Properties

Compound NameN-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
PubChem CID70982399
Molecular FormulaC17H10BrF2N5
Molecular Weight402.20 g/mol
Exact Mass401.01
IUPAC NameN-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
SMILESFc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3Br)n2n1
InChIInChI=1S/C17H10BrF2N5/c18-11-6-7-21-9-15(11)23-17-22-8-10-4-5-14(24-25(10)17)16-12(19)2-1-3-13(16)20/h1-9H,(H,22,23)
InChIKeyASPPRHLMDQOYEC-UHFFFAOYSA-N
XLogP4.58
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.20
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The IUPAC name of N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine (CID 70982399) is N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine.
What is the SMILES notation for N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The canonical SMILES for N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is Fc1cccc(F)c1-c1ccc2cnc(Nc3cnccc3Br)n2n1.
What is the InChIKey of N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
The InChIKey is ASPPRHLMDQOYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrF2N5/c18-11-6-7-21-9-15(11)23-17-22-8-10-4-5-14(24-25(10)17)16-12(19)2-1-3-13(16)20/h1-9H,(H,22,23).
What are the key properties of N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine?
N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine has a molecular weight of 402.20 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-pyridinyl)-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine is sourced from PubChem (CID 70982399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).