N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

C40H45ClFN9O5 — CID 156550801

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 156550801) has the molecular formula C40H45ClFN9O5 and a molecular weight of 786.31 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 156550801
• Molecular Formula: C40H45ClFN9O5
• Molecular Weight: 786.31 g/mol
• Exact Mass: 785.32
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc(C(=O)NC7CCC(=O)NC7=O)c(F)c6)CC5)CC4)nn3)CC2)cc1Cl
• InChI: InChI=1S/C40H45ClFN9O5/c41-32-22-30(5-1-26(32)23-43)56-29-6-2-27(3-7-29)44-40(55)35-9-11-36(48-47-35)51-15-13-25(14-16-51)24-49-17-19-50(20-18-49)28-4-8-31(33(42)21-28)38(53)45-34-10-12-37(52)46-39(34)54/h1,4-5,8-9,11,21-22,25,27,29,34H,2-3,6-7,10,12-20,24H2,(H,44,55)(H,45,53)(H,46,52,54)
• InChIKey: NMSVPKPBVDKTFS-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 172.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.31
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 156550801) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCN(c6ccc(C(=O)NC7CCC(=O)NC7=O)c(F)c6)CC5)CC4)nn3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is NMSVPKPBVDKTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45ClFN9O5/c41-32-22-30(5-1-26(32)23-43)56-29-6-2-27(3-7-29)44-40(55)35-9-11-36(48-47-35)51-15-13-25(14-16-51)24-49-17-19-50(20-18-49)28-4-8-31(33(42)21-28)38(53)45-34-10-12-37(52)46-39(34)54/h1,4-5,8-9,11,21-22,25,27,29,34H,2-3,6-7,10,12-20,24H2,(H,44,55)(H,45,53)(H,46,52,54).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 786.31 g/mol, XLogP of 3.83, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[4-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-fluorophenyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 156550801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).