7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C43H45F2N11O5 — CID 176796768

About 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide

7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 176796768) has the molecular formula C43H45F2N11O5 and a molecular weight of 833.90 g/mol. Its IUPAC name is 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 176796768
• Molecular Formula: C43H45F2N11O5
• Molecular Weight: 833.90 g/mol
• Exact Mass: 833.36
• IUPAC Name: 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CC(C)(O)c1cc2nn(C3CCC(N4CCN(C(=O)C5CN(c6cc(F)c([C@H]7CCC(=O)NC7=O)c(F)c6)C5)CC4)CC3)cc2cc1NC(=O)c1cnc2cc(C#N)cnn12
• InChI: InChI=1S/C43H45F2N11O5/c1-43(2,61)31-17-34-25(14-35(31)49-41(59)36-20-47-37-13-24(18-46)19-48-56(36)37)23-55(51-34)28-5-3-27(4-6-28)52-9-11-53(12-10-52)42(60)26-21-54(22-26)29-15-32(44)39(33(45)16-29)30-7-8-38(57)50-40(30)58/h13-17,19-20,23,26-28,30,61H,3-12,21-22H2,1-2H3,(H,49,59)(H,50,57,58)/t27?,28?,30-/m1/s1
• InChIKey: UYWWZOLXCGFAFS-BDCLJRGUSA-N
• XLogP: 3.99
• TPSA: 194.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.90
LogP ≤ 5	3.99
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 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 176796768) is 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)(O)c1cc2nn(C3CCC(N4CCN(C(=O)C5CN(c6cc(F)c([C@H]7CCC(=O)NC7=O)c(F)c6)C5)CC4)CC3)cc2cc1NC(=O)c1cnc2cc(C#N)cnn12.

What is the InChIKey of 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is UYWWZOLXCGFAFS-BDCLJRGUSA-N. The full InChI is InChI=1S/C43H45F2N11O5/c1-43(2,61)31-17-34-25(14-35(31)49-41(59)36-20-47-37-13-24(18-46)19-48-56(36)37)23-55(51-34)28-5-3-27(4-6-28)52-9-11-53(12-10-52)42(60)26-21-54(22-26)29-15-32(44)39(33(45)16-29)30-7-8-38(57)50-40(30)58/h13-17,19-20,23,26-28,30,61H,3-12,21-22H2,1-2H3,(H,49,59)(H,50,57,58)/t27?,28?,30-/m1/s1.

What are the key properties of 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide?

7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 833.90 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyano-N-[2-[4-[4-[1-[4-[(3R)-2,6-dioxopiperidin-3-yl]-3,5-difluorophenyl]azetidine-3-carbonyl]piperazin-1-yl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 176796768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).