N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide

C42H43ClFN9O6 — CID 155218984

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 155218984) has the molecular formula C42H43ClFN9O6 and a molecular weight of 824.31 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide
• PubChem CID: 155218984
• Molecular Formula: C42H43ClFN9O6
• Molecular Weight: 824.31 g/mol
• Exact Mass: 823.30
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide
• SMILES: C[C@H]1CN(c2ccc(C(=O)NC3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)nn2)CCN1CC1C2CN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@@H]21
• InChI: InChI=1S/C42H43ClFN9O6/c1-22-18-51(37-10-8-34(48-49-37)39(55)46-24-3-6-25(7-4-24)59-26-5-2-23(17-45)32(43)14-26)13-12-50(22)19-29-30-20-52(21-31(29)30)36-16-28-27(15-33(36)44)41(57)53(42(28)58)35-9-11-38(54)47-40(35)56/h2,5,8,10,14-16,22,24-25,29-31,35H,3-4,6-7,9,11-13,18-21H2,1H3,(H,46,55)(H,47,54,56)/t22-,24?,25?,29?,30+,31?,35?/m0/s1
• InChIKey: UGBYHYCUMQMDAA-SMTFHXSASA-N
• XLogP: 3.55
• TPSA: 181.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.31
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
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-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide (CID 155218984) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide is C[C@H]1CN(c2ccc(C(=O)NC3CCC(Oc4ccc(C#N)c(Cl)c4)CC3)nn2)CCN1CC1C2CN(c3cc4c(cc3F)C(=O)N(C3CCC(=O)NC3=O)C4=O)C[C@@H]21.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide?

The InChIKey is UGBYHYCUMQMDAA-SMTFHXSASA-N. The full InChI is InChI=1S/C42H43ClFN9O6/c1-22-18-51(37-10-8-34(48-49-37)39(55)46-24-3-6-25(7-4-24)59-26-5-2-23(17-45)32(43)14-26)13-12-50(22)19-29-30-20-52(21-31(29)30)36-16-28-27(15-33(36)44)41(57)53(42(28)58)35-9-11-38(54)47-40(35)56/h2,5,8,10,14-16,22,24-25,29-31,35H,3-4,6-7,9,11-13,18-21H2,1H3,(H,46,55)(H,47,54,56)/t22-,24?,25?,29?,30+,31?,35?/m0/s1.

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 824.31 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 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-[(3S)-4-[[(5R)-3-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-methylpiperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 155218984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).