7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide

C47H53N9O7 — CID 144716835

About 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide

7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide (PubChem CID 144716835) has the molecular formula C47H53N9O7 and a molecular weight of 856.00 g/mol. Its IUPAC name is 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide.

Molecular Properties

• Compound Name: 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide
• PubChem CID: 144716835
• Molecular Formula: C47H53N9O7
• Molecular Weight: 856.00 g/mol
• Exact Mass: 855.41
• IUPAC Name: 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide
• SMILES: COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c(C(C)N(C)C(C)=O)n2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c(C(C)c2ccccc2)n2ncccc12
• InChI: InChI=1S/C25H26N4O3.C22H27N5O4/c1-15-13-21(32-4)19(24(30)28-15)14-26-25(31)22-17(3)23(29-20(22)11-8-12-27-29)16(2)18-9-6-5-7-10-18;1-12-10-18(31-6)16(21(29)25-12)11-23-22(30)19-13(2)20(14(3)26(5)15(4)28)27-17(19)8-7-9-24-27/h5-13,16H,14H2,1-4H3,(H,26,31)(H,28,30);7-10,14H,11H2,1-6H3,(H,23,30)(H,25,29)
• InChIKey: JLCYVQXYDYFPHR-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 197.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	856.00
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide?

The IUPAC name of 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide (CID 144716835) is 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide.

What is the SMILES notation for 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide?

The canonical SMILES for 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c(C(C)N(C)C(C)=O)n2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c(C(C)c2ccccc2)n2ncccc12.

What is the InChIKey of 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide?

The InChIKey is JLCYVQXYDYFPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C22H27N5O4/c1-15-13-21(32-4)19(24(30)28-15)14-26-25(31)22-17(3)23(29-20(22)11-8-12-27-29)16(2)18-9-6-5-7-10-18;1-12-10-18(31-6)16(21(29)25-12)11-23-22(30)19-13(2)20(14(3)26(5)15(4)28)27-17(19)8-7-9-24-27/h5-13,16H,14H2,1-4H3,(H,26,31)(H,28,30);7-10,14H,11H2,1-6H3,(H,23,30)(H,25,29).

What are the key properties of 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide?

7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide has a molecular weight of 856.00 g/mol, XLogP of 5.85, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-[acetyl(methyl)amino]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-7-(1-phenylethyl)pyrrolo[1,2-b]pyridazine-5-carboxamide is sourced from PubChem (CID 144716835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).