2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

C41H46ClN9O6 — CID 169251766

About 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide

2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 169251766) has the molecular formula C41H46ClN9O6 and a molecular weight of 796.33 g/mol. Its IUPAC name is 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• PubChem CID: 169251766
• Molecular Formula: C41H46ClN9O6
• Molecular Weight: 796.33 g/mol
• Exact Mass: 795.33
• IUPAC Name: 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
• SMILES: N#Cc1ccc(O)cc1Cl.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ncc(C(=O)NC7CCCCC7)cn6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C34H42N8O5.C7H4ClNO/c43-29-9-8-28(31(45)38-29)42-32(46)26-7-6-25(18-27(26)33(42)47)40-16-14-39(15-17-40)21-22-10-12-41(13-11-22)34-35-19-23(20-36-34)30(44)37-24-4-2-1-3-5-24;8-7-3-6(10)2-1-5(7)4-9/h6-7,18-20,22,24,28H,1-5,8-17,21H2,(H,37,44)(H,38,43,45);1-3,10H
• InChIKey: GCSAUIAEXQUSRS-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 192.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.33
LogP ≤ 5	3.90
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 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The IUPAC name of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 169251766) is 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The canonical SMILES for 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is N#Cc1ccc(O)cc1Cl.O=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ncc(C(=O)NC7CCCCC7)cn6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

The InChIKey is GCSAUIAEXQUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O5.C7H4ClNO/c43-29-9-8-28(31(45)38-29)42-32(46)26-7-6-25(18-27(26)33(42)47)40-16-14-39(15-17-40)21-22-10-12-41(13-11-22)34-35-19-23(20-36-34)30(44)37-24-4-2-1-3-5-24;8-7-3-6(10)2-1-5(7)4-9/h6-7,18-20,22,24,28H,1-5,8-17,21H2,(H,37,44)(H,38,43,45);1-3,10H.

What are the key properties of 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide?

2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 796.33 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-hydroxybenzonitrile;N-cyclohexyl-2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 169251766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).