1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide

C41H45N7O7 — CID 163429074

About 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide

1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide (PubChem CID 163429074) has the molecular formula C41H45N7O7 and a molecular weight of 747.85 g/mol. Its IUPAC name is 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 163429074
• Molecular Formula: C41H45N7O7
• Molecular Weight: 747.85 g/mol
• Exact Mass: 747.34
• IUPAC Name: 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide
• SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4(C(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1C1CCCC1
• InChI: InChI=1S/C41H45N7O7/c1-4-29-39(53)46(2)31-21-42-34(44-36(31)48(29)25-8-5-6-9-25)19-24-13-12-23(18-33(24)55-3)32(49)20-41(16-17-41)40(54)43-28-11-7-10-26-27(28)22-47(38(26)52)30-14-15-35(50)45-37(30)51/h7,10-13,18,21,25,29-30H,4-6,8-9,14-17,19-20,22H2,1-3H3,(H,43,54)(H,45,50,51)/t29-,30?/m1/s1
• InChIKey: AOXVVSVVQFVEKT-IDCGIGBZSA-N
• XLogP: 4.33
• TPSA: 171.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.85
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide (CID 163429074) is 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide is CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4(C(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1C1CCCC1.

What is the InChIKey of 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide?

The InChIKey is AOXVVSVVQFVEKT-IDCGIGBZSA-N. The full InChI is InChI=1S/C41H45N7O7/c1-4-29-39(53)46(2)31-21-42-34(44-36(31)48(29)25-8-5-6-9-25)19-24-13-12-23(18-33(24)55-3)32(49)20-41(16-17-41)40(54)43-28-11-7-10-26-27(28)22-47(38(26)52)30-14-15-35(50)45-37(30)51/h7,10-13,18,21,25,29-30H,4-6,8-9,14-17,19-20,22H2,1-3H3,(H,43,54)(H,45,50,51)/t29-,30?/m1/s1.

What are the key properties of 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide?

1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 747.85 g/mol, XLogP of 4.33, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163429074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).