N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide

C35H36Cl2N10O9 — CID 139433284

About N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide

N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide (PubChem CID 139433284) has the molecular formula C35H36Cl2N10O9 and a molecular weight of 811.64 g/mol. Its IUPAC name is N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide
• PubChem CID: 139433284
• Molecular Formula: C35H36Cl2N10O9
• Molecular Weight: 811.64 g/mol
• Exact Mass: 810.20
• IUPAC Name: N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide
• SMILES: COC(C)c1c(NC(=O)Nc2cc(Cl)cnc2OCCNC(=O)CCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cnc2cc(Cl)nn12
• InChI: InChI=1S/C35H36Cl2N10O9/c1-18(54-2)30-23(17-40-26-15-25(37)45-47(26)30)43-35(53)42-22-14-19(36)16-41-32(22)56-13-10-39-27(48)8-11-55-12-9-38-21-5-3-4-20-29(21)34(52)46(33(20)51)24-6-7-28(49)44-31(24)50/h3-5,14-18,24,38H,6-13H2,1-2H3,(H,39,48)(H2,42,43,53)(H,44,49,50)
• InChIKey: MNUBSCBPEIULHB-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 236.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.64
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide?

The IUPAC name of N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide (CID 139433284) is N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide.

What is the SMILES notation for N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide?

The canonical SMILES for N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide is COC(C)c1c(NC(=O)Nc2cc(Cl)cnc2OCCNC(=O)CCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cnc2cc(Cl)nn12.

What is the InChIKey of N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide?

The InChIKey is MNUBSCBPEIULHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Cl2N10O9/c1-18(54-2)30-23(17-40-26-15-25(37)45-47(26)30)43-35(53)42-22-14-19(36)16-41-32(22)56-13-10-39-27(48)8-11-55-12-9-38-21-5-3-4-20-29(21)34(52)46(33(20)51)24-6-7-28(49)44-31(24)50/h3-5,14-18,24,38H,6-13H2,1-2H3,(H,39,48)(H2,42,43,53)(H,44,49,50).

What are the key properties of N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide?

N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide has a molecular weight of 811.64 g/mol, XLogP of 3.20, 16 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-chloro-3-[[2-chloro-7-(1-methoxyethyl)pyrazolo[1,5-a]pyrimidin-6-yl]carbamoylamino]-2-pyridinyl]oxy]ethyl]-3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]propanamide is sourced from PubChem (CID 139433284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).