methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C26H37N7O4 — CID 154661516

About methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide

methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 154661516) has the molecular formula C26H37N7O4 and a molecular weight of 511.63 g/mol. Its IUPAC name is methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 154661516
• Molecular Formula: C26H37N7O4
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.29
• IUPAC Name: methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CCC(C)OC.CNC(=O)c1cnc2c(NC)cc(-c3cn(C4CCOC4)c4ncccc34)nn12.CO
• InChI: InChI=1S/C20H21N7O2.C5H12O.CH4O/c1-21-16-8-15(25-27-17(20(28)22-2)9-24-19(16)27)14-10-26(12-5-7-29-11-12)18-13(14)4-3-6-23-18;1-4-5(2)6-3;1-2/h3-4,6,8-10,12,21H,5,7,11H2,1-2H3,(H,22,28);5H,4H2,1-3H3;2H,1H3
• InChIKey: BVHMMBLUCGSUHP-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 127.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 154661516) is methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CCC(C)OC.CNC(=O)c1cnc2c(NC)cc(-c3cn(C4CCOC4)c4ncccc34)nn12.CO.

What is the InChIKey of methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is BVHMMBLUCGSUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2.C5H12O.CH4O/c1-21-16-8-15(25-27-17(20(28)22-2)9-24-19(16)27)14-10-26(12-5-7-29-11-12)18-13(14)4-3-6-23-18;1-4-5(2)6-3;1-2/h3-4,6,8-10,12,21H,5,7,11H2,1-2H3,(H,22,28);5H,4H2,1-3H3;2H,1H3.

What are the key properties of methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methanol;2-methoxybutane;N-methyl-8-(methylamino)-6-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 154661516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).