N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

C42H46ClN9O6 — CID 175880509

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 175880509) has the molecular formula C42H46ClN9O6 and a molecular weight of 808.34 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 175880509
• Molecular Formula: C42H46ClN9O6
• Molecular Weight: 808.34 g/mol
• Exact Mass: 807.33
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCC[C@H](Nc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)nn3)CC2)cc1Cl
• InChI: InChI=1S/C42H46ClN9O6/c43-34-21-31(7-3-26(34)22-44)58-30-8-4-27(5-9-30)46-39(54)35-11-13-37(49-48-35)51-18-15-25(16-19-51)23-50-17-1-2-29(24-50)45-28-6-10-32-33(20-28)42(57)52(41(32)56)36-12-14-38(53)47-40(36)55/h3,6-7,10-11,13,20-21,25,27,29-30,36,45H,1-2,4-5,8-9,12,14-19,23-24H2,(H,46,54)(H,47,53,55)/t27?,29-,30?,36?/m0/s1
• InChIKey: DGWZJYRFENYJJG-FSEWBVAPSA-N
• XLogP: 4.32
• TPSA: 189.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.34
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 175880509) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(N4CCC(CN5CCC[C@H](Nc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)nn3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

The InChIKey is DGWZJYRFENYJJG-FSEWBVAPSA-N. The full InChI is InChI=1S/C42H46ClN9O6/c43-34-21-31(7-3-26(34)22-44)58-30-8-4-27(5-9-30)46-39(54)35-11-13-37(49-48-35)51-18-15-25(16-19-51)23-50-17-1-2-29(24-50)45-28-6-10-32-33(20-28)42(57)52(41(32)56)36-12-14-38(53)47-40(36)55/h3,6-7,10-11,13,20-21,25,27,29-30,36,45H,1-2,4-5,8-9,12,14-19,23-24H2,(H,46,54)(H,47,53,55)/t27?,29-,30?,36?/m0/s1.

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 808.34 g/mol, XLogP of 4.32, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[(3S)-3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]piperidin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 175880509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).