1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide

C42H44ClN9O5 — CID 169319777

About 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide

1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 169319777) has the molecular formula C42H44ClN9O5 and a molecular weight of 790.32 g/mol. Its IUPAC name is 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 169319777
• Molecular Formula: C42H44ClN9O5
• Molecular Weight: 790.32 g/mol
• Exact Mass: 789.32
• IUPAC Name: 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide
• SMILES: [C-]#[N+]c1ccc(N2CCC(C(=O)Nc3ccc(N4CC5(CCN(CC6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C4)cn3)CC2)cc1Cl
• InChI: InChI=1S/C42H44ClN9O5/c1-44-34-6-3-29(19-33(34)43)49-14-10-27(11-15-49)38(54)46-36-8-4-30(20-45-36)51-24-42(25-51)12-16-48(17-13-42)21-26-22-50(23-26)28-2-5-31-32(18-28)41(57)52(40(31)56)35-7-9-37(53)47-39(35)55/h2-6,8,18-20,26-27,35H,7,9-17,21-25H2,(H,45,46,54)(H,47,53,55)
• InChIKey: GOAWQWGWNRMYGH-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 142.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	790.32
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

The IUPAC name of 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide (CID 169319777) is 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide is [C-]#[N+]c1ccc(N2CCC(C(=O)Nc3ccc(N4CC5(CCN(CC6CN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)C6)CC5)C4)cn3)CC2)cc1Cl.

What is the InChIKey of 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

The InChIKey is GOAWQWGWNRMYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44ClN9O5/c1-44-34-6-3-29(19-33(34)43)49-14-10-27(11-15-49)38(54)46-36-8-4-30(20-45-36)51-24-42(25-51)12-16-48(17-13-42)21-26-22-50(23-26)28-2-5-31-32(18-28)41(57)52(40(31)56)35-7-9-37(53)47-39(35)55/h2-6,8,18-20,26-27,35H,7,9-17,21-25H2,(H,45,46,54)(H,47,53,55).

What are the key properties of 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide?

1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 790.32 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-4-isocyanophenyl)-N-[5-[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 169319777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).