6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide

C18H21BrN6 — CID 44819113

IUPAC6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide
SMILESBr.Cc1cc(-c2c(C)nc3ccc(N4C[C@H]5C[C@@H]4CN5)nn23)ccn1
InChIInChI=1S/C18H20N6.BrH/c1-11-7-13(5-6-19-11)18-12(2)21-16-3-4-17(22-24(16)18)23-10-14-8-15(23)9-20-14;/h3-7,14-15,20H,8-10H2,1-2H3;1H/t14-,15-;/m1./s1
InChIKeyBBPMWEQRMMMWSN-CTHHTMFSSA-N
MW401.31 g/mol
LogP2.54
Rot. Bonds2

About 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide

6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide (PubChem CID 44819113) has the molecular formula C18H21BrN6 and a molecular weight of 401.31 g/mol. Its IUPAC name is 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide.

Molecular Properties

Compound Name6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide
PubChem CID44819113
Molecular FormulaC18H21BrN6
Molecular Weight401.31 g/mol
Exact Mass400.10
IUPAC Name6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide
SMILESBr.Cc1cc(-c2c(C)nc3ccc(N4C[C@H]5C[C@@H]4CN5)nn23)ccn1
InChIInChI=1S/C18H20N6.BrH/c1-11-7-13(5-6-19-11)18-12(2)21-16-3-4-17(22-24(16)18)23-10-14-8-15(23)9-20-14;/h3-7,14-15,20H,8-10H2,1-2H3;1H/t14-,15-;/m1./s1
InChIKeyBBPMWEQRMMMWSN-CTHHTMFSSA-N
XLogP2.54
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide?
The IUPAC name of 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide (CID 44819113) is 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide.
What is the SMILES notation for 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide?
The canonical SMILES for 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide is Br.Cc1cc(-c2c(C)nc3ccc(N4C[C@H]5C[C@@H]4CN5)nn23)ccn1.
What is the InChIKey of 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide?
The InChIKey is BBPMWEQRMMMWSN-CTHHTMFSSA-N. The full InChI is InChI=1S/C18H20N6.BrH/c1-11-7-13(5-6-19-11)18-12(2)21-16-3-4-17(22-24(16)18)23-10-14-8-15(23)9-20-14;/h3-7,14-15,20H,8-10H2,1-2H3;1H/t14-,15-;/m1./s1.
What are the key properties of 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide?
6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide has a molecular weight of 401.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-3-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;hydrobromide is sourced from PubChem (CID 44819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).