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

C50H53BrN12O4 — CID 160976347

IUPAC6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate
SMILESCC1CCC(C)N1c1cccc(N)n1.COC(=O)c1cccc(-c2cc(Br)c3nccn3n2)c1.COC(=O)c1cccc(-c2cc(Nc3cccc(N4C(C)CCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C25H26N6O2.C14H10BrN3O2.C11H17N3/c1-16-10-11-17(2)31(16)23-9-5-8-22(28-23)27-21-15-20(29-30-13-12-26-24(21)30)18-6-4-7-19(14-18)25(32)33-3;1-20-14(19)10-4-2-3-9(7-10)12-8-11(15)13-16-5-6-18(13)17-12;1-8-6-7-9(2)14(8)11-5-3-4-10(12)13-11/h4-9,12-17H,10-11H2,1-3H3,(H,27,28);2-8H,1H3;3-5,8-9H,6-7H2,1-2H3,(H2,12,13)
InChIKeySYXOAXHTTNHOKM-UHFFFAOYSA-N
MW965.96 g/mol
LogP9.69
Rot. Bonds8

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

6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate (PubChem CID 160976347) has the molecular formula C50H53BrN12O4 and a molecular weight of 965.96 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate.

Molecular Properties

Compound Name6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate
PubChem CID160976347
Molecular FormulaC50H53BrN12O4
Molecular Weight965.96 g/mol
Exact Mass964.35
IUPAC Name6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate
SMILESCC1CCC(C)N1c1cccc(N)n1.COC(=O)c1cccc(-c2cc(Br)c3nccn3n2)c1.COC(=O)c1cccc(-c2cc(Nc3cccc(N4C(C)CCC4C)n3)c3nccn3n2)c1
InChIInChI=1S/C25H26N6O2.C14H10BrN3O2.C11H17N3/c1-16-10-11-17(2)31(16)23-9-5-8-22(28-23)27-21-15-20(29-30-13-12-26-24(21)30)18-6-4-7-19(14-18)25(32)33-3;1-20-14(19)10-4-2-3-9(7-10)12-8-11(15)13-16-5-6-18(13)17-12;1-8-6-7-9(2)14(8)11-5-3-4-10(12)13-11/h4-9,12-17H,10-11H2,1-3H3,(H,27,28);2-8H,1H3;3-5,8-9H,6-7H2,1-2H3,(H2,12,13)
InChIKeySYXOAXHTTNHOKM-UHFFFAOYSA-N
XLogP9.69
TPSA183.29 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500965.96
LogP ≤ 59.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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

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Related Compounds

3-(8-(6-(3,5-Dimethylpiperidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525361
3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525520
Methyl 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525521
Sodium 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525523
Methyl 4-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525614
3-[8-[(6-Pyrrolidin-1-yl-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid
CID 71525711
3-(8-(6-(3-Aza-bicyclo[3.1.0]hexan-3-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71525713
(S)-3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71526081
3-(8-(6-(2,5-Dimethylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoic acid
CID 71526263
Methyl 3-(8-(6-(3-tert-butylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71526355
Methyl 4-[5-[(1-ethylpyrazol-4-yl)amino]triazolo[4,5-d]pyrimidin-3-yl]benzoate
CID 71666470
Methyl 4-[5-[[1-(oxan-4-yl)pyrazol-4-yl]amino]triazolo[4,5-d]pyrimidin-3-yl]benzoate
CID 71666763

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate?
The IUPAC name of 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate (CID 160976347) is 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate.
What is the SMILES notation for 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate?
The canonical SMILES for 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate is CC1CCC(C)N1c1cccc(N)n1.COC(=O)c1cccc(-c2cc(Br)c3nccn3n2)c1.COC(=O)c1cccc(-c2cc(Nc3cccc(N4C(C)CCC4C)n3)c3nccn3n2)c1.
What is the InChIKey of 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate?
The InChIKey is SYXOAXHTTNHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.C14H10BrN3O2.C11H17N3/c1-16-10-11-17(2)31(16)23-9-5-8-22(28-23)27-21-15-20(29-30-13-12-26-24(21)30)18-6-4-7-19(14-18)25(32)33-3;1-20-14(19)10-4-2-3-9(7-10)12-8-11(15)13-16-5-6-18(13)17-12;1-8-6-7-9(2)14(8)11-5-3-4-10(12)13-11/h4-9,12-17H,10-11H2,1-3H3,(H,27,28);2-8H,1H3;3-5,8-9H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate?
6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate has a molecular weight of 965.96 g/mol, XLogP of 9.69, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrrolidin-1-yl)pyridin-2-amine;methyl 3-(8-bromoimidazo[1,2-b]pyridazin-6-yl)benzoate;methyl 3-[8-[[6-(2,5-dimethylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoate is sourced from PubChem (CID 160976347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).