8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride

C47H51BrClN11O2 — CID 158066388

IUPAC8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride
SMILESBrc1cc(-c2ccccc2)nn2ccnc12.COCC1CCCN1c1cccc(Cc2cc(-c3ccccc3)nn3ccnc23)n1.COCC1CCCN1c1cccc(N)n1.Cl
InChIInChI=1S/C24H25N5O.C12H8BrN3.C11H17N3O.ClH/c1-30-17-21-10-6-13-28(21)23-11-5-9-20(26-23)15-19-16-22(18-7-3-2-4-8-18)27-29-14-12-25-24(19)29;13-10-8-11(9-4-2-1-3-5-9)15-16-7-6-14-12(10)16;1-15-8-9-4-3-7-14(9)11-6-2-5-10(12)13-11;/h2-5,7-9,11-12,14,16,21H,6,10,13,15,17H2,1H3;1-8H;2,5-6,9H,3-4,7-8H2,1H3,(H2,12,13);1H
InChIKeyGVSFZLIRLNLROS-UHFFFAOYSA-N
MW917.36 g/mol
LogP8.86
Rot. Bonds10

About 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride

8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride (PubChem CID 158066388) has the molecular formula C47H51BrClN11O2 and a molecular weight of 917.36 g/mol. Its IUPAC name is 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride.

Molecular Properties

Compound Name8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride
PubChem CID158066388
Molecular FormulaC47H51BrClN11O2
Molecular Weight917.36 g/mol
Exact Mass915.31
IUPAC Name8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride
SMILESBrc1cc(-c2ccccc2)nn2ccnc12.COCC1CCCN1c1cccc(Cc2cc(-c3ccccc3)nn3ccnc23)n1.COCC1CCCN1c1cccc(N)n1.Cl
InChIInChI=1S/C24H25N5O.C12H8BrN3.C11H17N3O.ClH/c1-30-17-21-10-6-13-28(21)23-11-5-9-20(26-23)15-19-16-22(18-7-3-2-4-8-18)27-29-14-12-25-24(19)29;13-10-8-11(9-4-2-1-3-5-9)15-16-7-6-14-12(10)16;1-15-8-9-4-3-7-14(9)11-6-2-5-10(12)13-11;/h2-5,7-9,11-12,14,16,21H,6,10,13,15,17H2,1H3;1-8H;2,5-6,9H,3-4,7-8H2,1H3,(H2,12,13);1H
InChIKeyGVSFZLIRLNLROS-UHFFFAOYSA-N
XLogP8.86
TPSA137.12 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.36
LogP ≤ 58.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride?
The IUPAC name of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride (CID 158066388) is 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride.
What is the SMILES notation for 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride?
The canonical SMILES for 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride is Brc1cc(-c2ccccc2)nn2ccnc12.COCC1CCCN1c1cccc(Cc2cc(-c3ccccc3)nn3ccnc23)n1.COCC1CCCN1c1cccc(N)n1.Cl.
What is the InChIKey of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride?
The InChIKey is GVSFZLIRLNLROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O.C12H8BrN3.C11H17N3O.ClH/c1-30-17-21-10-6-13-28(21)23-11-5-9-20(26-23)15-19-16-22(18-7-3-2-4-8-18)27-29-14-12-25-24(19)29;13-10-8-11(9-4-2-1-3-5-9)15-16-7-6-14-12(10)16;1-15-8-9-4-3-7-14(9)11-6-2-5-10(12)13-11;/h2-5,7-9,11-12,14,16,21H,6,10,13,15,17H2,1H3;1-8H;2,5-6,9H,3-4,7-8H2,1H3,(H2,12,13);1H.
What are the key properties of 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride?
8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride has a molecular weight of 917.36 g/mol, XLogP of 8.86, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-phenylimidazo[1,2-b]pyridazine;6-[2-(methoxymethyl)pyrrolidin-1-yl]pyridin-2-amine;8-[[6-[2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridinyl]methyl]-6-phenylimidazo[1,2-b]pyridazine;hydrochloride is sourced from PubChem (CID 158066388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).