N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide

C43H48N12O5 — CID 177209176

IUPACN-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESCOc1cc(N2CCC(CNC3CCC(n4cc5cc(NC(=O)c6ccc7nccn7n6)c(-c6cnn(C)c6)cc5n4)CC3)CC2)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C43H48N12O5/c1-52-24-28(23-46-52)33-21-36-27(19-37(33)48-43(59)35-9-11-39-44-15-18-54(39)50-35)25-55(51-36)30-5-3-29(4-6-30)45-22-26-13-16-53(17-14-26)31-7-8-32(38(20-31)60-2)41(57)47-34-10-12-40(56)49-42(34)58/h7-9,11,15,18-21,23-26,29-30,34,45H,3-6,10,12-14,16-17,22H2,1-2H3,(H,47,57)(H,48,59)(H,49,56,58)
InChIKeyYZLJOWMGZQADCA-UHFFFAOYSA-N
MW812.94 g/mol
LogP4.27
Rot. Bonds11

About N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide

N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide (PubChem CID 177209176) has the molecular formula C43H48N12O5 and a molecular weight of 812.94 g/mol. Its IUPAC name is N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
PubChem CID177209176
Molecular FormulaC43H48N12O5
Molecular Weight812.94 g/mol
Exact Mass812.39
IUPAC NameN-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
SMILESCOc1cc(N2CCC(CNC3CCC(n4cc5cc(NC(=O)c6ccc7nccn7n6)c(-c6cnn(C)c6)cc5n4)CC3)CC2)ccc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C43H48N12O5/c1-52-24-28(23-46-52)33-21-36-27(19-37(33)48-43(59)35-9-11-39-44-15-18-54(39)50-35)25-55(51-36)30-5-3-29(4-6-30)45-22-26-13-16-53(17-14-26)31-7-8-32(38(20-31)60-2)41(57)47-34-10-12-40(56)49-42(34)58/h7-9,11,15,18-21,23-26,29-30,34,45H,3-6,10,12-14,16-17,22H2,1-2H3,(H,47,57)(H,48,59)(H,49,56,58)
InChIKeyYZLJOWMGZQADCA-UHFFFAOYSA-N
XLogP4.27
TPSA194.70 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.94
LogP ≤ 54.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide with MolForge

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Related Compounds

N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 177209086
4-[4-[[4-(5-amino-6-piperidin-1-ylindazol-2-yl)piperidin-1-yl]methyl]piperidin-1-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 177209130
N-[2-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]-6-[(3S)-3-hydroxypyrrolidin-1-yl]indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide
CID 177209087
N-(2,6-dioxopiperidin-3-yl)-5-[4-[[4-[5-methoxy-2-(1-methylpyrazol-4-yl)-4-nitrophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 166095575
N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 177209137
6-amino-N-[2-[1-[[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]carbamoyl]-3-fluorophenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]pyridazine-4-carboxamide
CID 177209077
2-[4-[[4-[4-(2,6-dioxopiperidin-3-yl)-3-methoxyphenyl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504551
N-[2-[1-[[1-[4-[[(3R)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]thieno[2,3-b]pyrazine-7-carboxamide
CID 177209223
N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]tetrazolo[1,5-a]pyridine-5-carboxamide
CID 177209238
N-[2-[1-[[1-[4-[[(3S)-2,6-bis(oxomethylidene)piperidin-3-yl]carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methyl]piperidin-4-yl]-6-piperidin-1-ylindazol-5-yl]-[1,3]thiazolo[5,4-c]pyridine-7-carboxamide
CID 177209038
2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504580
2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]-N-imidazo[1,2-b]pyridazin-3-yl-6-methoxyindazole-5-carboxamide
CID 172504620

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?
The IUPAC name of N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide (CID 177209176) is N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide.
What is the SMILES notation for N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?
The canonical SMILES for N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide is COc1cc(N2CCC(CNC3CCC(n4cc5cc(NC(=O)c6ccc7nccn7n6)c(-c6cnn(C)c6)cc5n4)CC3)CC2)ccc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?
The InChIKey is YZLJOWMGZQADCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N12O5/c1-52-24-28(23-46-52)33-21-36-27(19-37(33)48-43(59)35-9-11-39-44-15-18-54(39)50-35)25-55(51-36)30-5-3-29(4-6-30)45-22-26-13-16-53(17-14-26)31-7-8-32(38(20-31)60-2)41(57)47-34-10-12-40(56)49-42(34)58/h7-9,11,15,18-21,23-26,29-30,34,45H,3-6,10,12-14,16-17,22H2,1-2H3,(H,47,57)(H,48,59)(H,49,56,58).
What are the key properties of N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide?
N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide has a molecular weight of 812.94 g/mol, XLogP of 4.27, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[1-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-methoxyphenyl]piperidin-4-yl]methylamino]cyclohexyl]-6-(1-methylpyrazol-4-yl)indazol-5-yl]imidazo[1,2-b]pyridazine-6-carboxamide is sourced from PubChem (CID 177209176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).