6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride

C53H59BrClN11O4 — CID 157277014

IUPAC6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride
SMILESCC1CC(C)CN(c2cccc(N)n2)C1.COC(=O)c1cccc(-c2cc(Br)c3nccn3n2)c1.COC(=O)c1cccc(-c2cc(Cc3cccc(N4CC(C)CC(C)C4)n3)c3nccn3n2)c1.Cl
InChIInChI=1S/C27H29N5O2.C14H10BrN3O2.C12H19N3.ClH/c1-18-12-19(2)17-31(16-18)25-9-5-8-23(29-25)14-22-15-24(30-32-11-10-28-26(22)32)20-6-4-7-21(13-20)27(33)34-3;1-20-14(19)10-4-2-3-9(7-10)12-8-11(15)13-16-5-6-18(13)17-12;1-9-6-10(2)8-15(7-9)12-5-3-4-11(13)14-12;/h4-11,13,15,18-19H,12,14,16-17H2,1-3H3;2-8H,1H3;3-5,9-10H,6-8H2,1-2H3,(H2,13,14);1H
InChIKeyGMMNLYULFUACTM-UHFFFAOYSA-N
MW1029.48 g/mol
LogP10.16
Rot. Bonds8

About 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride

6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride (PubChem CID 157277014) has the molecular formula C53H59BrClN11O4 and a molecular weight of 1029.48 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride
PubChem CID157277014
Molecular FormulaC53H59BrClN11O4
Molecular Weight1029.48 g/mol
Exact Mass1027.36
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride
SMILESCC1CC(C)CN(c2cccc(N)n2)C1.COC(=O)c1cccc(-c2cc(Br)c3nccn3n2)c1.COC(=O)c1cccc(-c2cc(Cc3cccc(N4CC(C)CC(C)C4)n3)c3nccn3n2)c1.Cl
InChIInChI=1S/C27H29N5O2.C14H10BrN3O2.C12H19N3.ClH/c1-18-12-19(2)17-31(16-18)25-9-5-8-23(29-25)14-22-15-24(30-32-11-10-28-26(22)32)20-6-4-7-21(13-20)27(33)34-3;1-20-14(19)10-4-2-3-9(7-10)12-8-11(15)13-16-5-6-18(13)17-12;1-9-6-10(2)8-15(7-9)12-5-3-4-11(13)14-12;/h4-11,13,15,18-19H,12,14,16-17H2,1-3H3;2-8H,1H3;3-5,9-10H,6-8H2,1-2H3,(H2,13,14);1H
InChIKeyGMMNLYULFUACTM-UHFFFAOYSA-N
XLogP10.16
TPSA171.26 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001029.48
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride with MolForge

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Related Compounds

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Methyl 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
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methyl 4-[methyl-[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]amino]benzoate
CID 66632943
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CID 68812029
Methyl 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzoate
CID 71074244
Tert-butyl 4-(3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamido)benzoate
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Methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate
CID 86682703
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CID 86682709

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride (CID 157277014) is 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride is CC1CC(C)CN(c2cccc(N)n2)C1.COC(=O)c1cccc(-c2cc(Br)c3nccn3n2)c1.COC(=O)c1cccc(-c2cc(Cc3cccc(N4CC(C)CC(C)C4)n3)c3nccn3n2)c1.Cl.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride?
The InChIKey is GMMNLYULFUACTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2.C14H10BrN3O2.C12H19N3.ClH/c1-18-12-19(2)17-31(16-18)25-9-5-8-23(29-25)14-22-15-24(30-32-11-10-28-26(22)32)20-6-4-7-21(13-20)27(33)34-3;1-20-14(19)10-4-2-3-9(7-10)12-8-11(15)13-16-5-6-18(13)17-12;1-9-6-10(2)8-15(7-9)12-5-3-4-11(13)14-12;/h4-11,13,15,18-19H,12,14,16-17H2,1-3H3;2-8H,1H3;3-5,9-10H,6-8H2,1-2H3,(H2,13,14);1H.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride?
6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride has a molecular weight of 1029.48 g/mol, XLogP of 10.16, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazin-6-yl]benzoate;hydrochloride is sourced from PubChem (CID 157277014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).