acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene

C36H47FN6O2 — CID 144738143

About acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene

acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene (PubChem CID 144738143) has the molecular formula C36H47FN6O2 and a molecular weight of 614.81 g/mol. Its IUPAC name is acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene.

Molecular Properties

• Compound Name: acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene
• PubChem CID: 144738143
• Molecular Formula: C36H47FN6O2
• Molecular Weight: 614.81 g/mol
• Exact Mass: 614.37
• IUPAC Name: acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene
• SMILES: C#C.CC.Cc1cc(C(=O)NC2CCN(c3ccc4ncc(C)n4n3)C2)c(=O)n(CC2CCCCC2)c1C.Fc1ccccc1
• InChI: InChI=1S/C26H34N6O2.C6H5F.C2H6.C2H2/c1-17-13-22(26(34)31(19(17)3)15-20-7-5-4-6-8-20)25(33)28-21-11-12-30(16-21)24-10-9-23-27-14-18(2)32(23)29-24;7-6-4-2-1-3-5-6;2*1-2/h9-10,13-14,20-21H,4-8,11-12,15-16H2,1-3H3,(H,28,33);1-5H;1-2H3;1-2H
• InChIKey: YSUCCJNNBQIWGH-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 84.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.81
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene?

The IUPAC name of acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene (CID 144738143) is acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene.

What is the SMILES notation for acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene?

The canonical SMILES for acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene is C#C.CC.Cc1cc(C(=O)NC2CCN(c3ccc4ncc(C)n4n3)C2)c(=O)n(CC2CCCCC2)c1C.Fc1ccccc1.

What is the InChIKey of acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene?

The InChIKey is YSUCCJNNBQIWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O2.C6H5F.C2H6.C2H2/c1-17-13-22(26(34)31(19(17)3)15-20-7-5-4-6-8-20)25(33)28-21-11-12-30(16-21)24-10-9-23-27-14-18(2)32(23)29-24;7-6-4-2-1-3-5-6;2*1-2/h9-10,13-14,20-21H,4-8,11-12,15-16H2,1-3H3,(H,28,33);1-5H;1-2H3;1-2H.

What are the key properties of acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene?

acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene has a molecular weight of 614.81 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;1-(cyclohexylmethyl)-5,6-dimethyl-N-[1-(3-methylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-oxopyridine-3-carboxamide;ethane;fluorobenzene is sourced from PubChem (CID 144738143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).