N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C35H39N11O4 — CID 176558860

About N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176558860) has the molecular formula C35H39N11O4 and a molecular weight of 677.77 g/mol. Its IUPAC name is N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176558860
• Molecular Formula: C35H39N11O4
• Molecular Weight: 677.77 g/mol
• Exact Mass: 677.32
• IUPAC Name: N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(-c2cccc(N3CCN(CCc4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)n2)nn2c(C(=O)NC3CC3)cnc12
• InChI: InChI=1S/C35H39N11O4/c1-36-25-19-24(41-46-29(20-37-32(25)46)34(49)38-22-7-8-22)23-4-3-5-30(39-23)44-16-14-43(15-17-44)13-12-21-6-9-26-28(18-21)42(2)35(50)45(26)27-10-11-31(47)40-33(27)48/h3-6,9,18-20,22,27,36H,7-8,10-17H2,1-2H3,(H,38,49)(H,40,47,48)
• InChIKey: GVGPEPDONKXQMS-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 163.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.77
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 176558860) is N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(-c2cccc(N3CCN(CCc4ccc5c(c4)n(C)c(=O)n5C4CCC(=O)NC4=O)CC3)n2)nn2c(C(=O)NC3CC3)cnc12.

What is the InChIKey of N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is GVGPEPDONKXQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N11O4/c1-36-25-19-24(41-46-29(20-37-32(25)46)34(49)38-22-7-8-22)23-4-3-5-30(39-23)44-16-14-43(15-17-44)13-12-21-6-9-26-28(18-21)42(2)35(50)45(26)27-10-11-31(47)40-33(27)48/h3-6,9,18-20,22,27,36H,7-8,10-17H2,1-2H3,(H,38,49)(H,40,47,48).

What are the key properties of N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 677.77 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[6-[4-[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]ethyl]piperazin-1-yl]-2-pyridinyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176558860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).