6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

C35H41Br2N13O2 — CID 157460566

About 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 157460566) has the molecular formula C35H41Br2N13O2 and a molecular weight of 835.61 g/mol. Its IUPAC name is 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 157460566
• Molecular Formula: C35H41Br2N13O2
• Molecular Weight: 835.61 g/mol
• Exact Mass: 833.19
• IUPAC Name: 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC1(C)CN(c2ccc(C#N)nn2)CCC1Nc1c(C(N)=O)cnn2cc(Br)cc12.CC1(C)CNCCC1Nc1c(C(N)=O)cnn2cc(Br)cc12
• InChI: InChI=1S/C20H21BrN8O.C15H20BrN5O/c1-20(2)11-28(17-4-3-13(8-22)26-27-17)6-5-16(20)25-18-14(19(23)30)9-24-29-10-12(21)7-15(18)29;1-15(2)8-18-4-3-12(15)20-13-10(14(17)22)6-19-21-7-9(16)5-11(13)21/h3-4,7,9-10,16,25H,5-6,11H2,1-2H3,(H2,23,30);5-7,12,18,20H,3-4,8H2,1-2H3,(H2,17,22)
• InChIKey: BTWKBFZJDPBXGD-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 209.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.61
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide (CID 157460566) is 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is CC1(C)CN(c2ccc(C#N)nn2)CCC1Nc1c(C(N)=O)cnn2cc(Br)cc12.CC1(C)CNCCC1Nc1c(C(N)=O)cnn2cc(Br)cc12.

What is the InChIKey of 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is BTWKBFZJDPBXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN8O.C15H20BrN5O/c1-20(2)11-28(17-4-3-13(8-22)26-27-17)6-5-16(20)25-18-14(19(23)30)9-24-29-10-12(21)7-15(18)29;1-15(2)8-18-4-3-12(15)20-13-10(14(17)22)6-19-21-7-9(16)5-11(13)21/h3-4,7,9-10,16,25H,5-6,11H2,1-2H3,(H2,23,30);5-7,12,18,20H,3-4,8H2,1-2H3,(H2,17,22).

What are the key properties of 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide?

6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 835.61 g/mol, XLogP of 4.57, 7 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-[[1-(6-cyanopyridazin-3-yl)-3,3-dimethylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;6-bromo-4-[(3,3-dimethylpiperidin-4-yl)amino]pyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 157460566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).