N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide

C42H48ClN7O7 — CID 175107794

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide (PubChem CID 175107794) has the molecular formula C42H48ClN7O7 and a molecular weight of 798.34 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide
• PubChem CID: 175107794
• Molecular Formula: C42H48ClN7O7
• Molecular Weight: 798.34 g/mol
• Exact Mass: 797.33
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide
• SMILES: CC1(C)C(NC(=O)c2ccn(C3CCN(CCCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)n2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C42H48ClN7O7/c1-41(2)39(42(3,4)40(41)57-28-9-8-25(24-44)31(43)23-28)46-35(52)32-16-20-49(47-32)26-14-18-48(19-15-26)17-6-5-7-21-56-27-10-11-29-30(22-27)38(55)50(37(29)54)33-12-13-34(51)45-36(33)53/h8-11,16,20,22-23,26,33,39-40H,5-7,12-15,17-19,21H2,1-4H3,(H,46,52)(H,45,51,53)
• InChIKey: IPFJVWNBVFEBAF-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 175.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	798.34
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide (CID 175107794) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide is CC1(C)C(NC(=O)c2ccn(C3CCN(CCCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)n2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide?

The InChIKey is IPFJVWNBVFEBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48ClN7O7/c1-41(2)39(42(3,4)40(41)57-28-9-8-25(24-44)31(43)23-28)46-35(52)32-16-20-49(47-32)26-14-18-48(19-15-26)17-6-5-7-21-56-27-10-11-29-30(22-27)38(55)50(37(29)54)33-12-13-34(51)45-36(33)53/h8-11,16,20,22-23,26,33,39-40H,5-7,12-15,17-19,21H2,1-4H3,(H,46,52)(H,45,51,53).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 798.34 g/mol, XLogP of 5.31, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-1-[1-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxypentyl]piperidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 175107794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).