6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C51H64N10O5 — CID 167703064

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 167703064) has the molecular formula C51H64N10O5 and a molecular weight of 897.14 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 167703064
• Molecular Formula: C51H64N10O5
• Molecular Weight: 897.14 g/mol
• Exact Mass: 896.51
• IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
• SMILES: C=C1CCC(N2Cc3cc(N4CCC(OC5CCN(CCN6CCN(c7ccc(Cc8ncc9c(C)c(C(C)=O)c(=O)n(C%10CCCC%10)c9n8)nc7)CC6)CC5)CC4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C51H64N10O5/c1-33-8-13-45(49(63)54-33)60-32-36-28-39(11-12-43(36)50(60)64)58-20-16-42(17-21-58)66-41-14-18-56(19-15-41)22-23-57-24-26-59(27-25-57)40-10-9-37(52-30-40)29-46-53-31-44-34(2)47(35(3)62)51(65)61(48(44)55-46)38-6-4-5-7-38/h9-12,28,30-31,38,41-42,45H,1,4-8,13-27,29,32H2,2-3H3,(H,54,63)
• InChIKey: YRNIAAZVOCHJOG-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 149.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	897.14
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 167703064) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is C=C1CCC(N2Cc3cc(N4CCC(OC5CCN(CCN6CCN(c7ccc(Cc8ncc9c(C)c(C(C)=O)c(=O)n(C%10CCCC%10)c9n8)nc7)CC6)CC5)CC4)ccc3C2=O)C(=O)N1.

What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is YRNIAAZVOCHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H64N10O5/c1-33-8-13-45(49(63)54-33)60-32-36-28-39(11-12-43(36)50(60)64)58-20-16-42(17-21-58)66-41-14-18-56(19-15-41)22-23-57-24-26-59(27-25-57)40-10-9-37(52-30-40)29-46-53-31-44-34(2)47(35(3)62)51(65)61(48(44)55-46)38-6-4-5-7-38/h9-12,28,30-31,38,41-42,45H,1,4-8,13-27,29,32H2,2-3H3,(H,54,63).

What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 897.14 g/mol, XLogP of 5.42, 12 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[4-[2-[4-[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]oxypiperidin-1-yl]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 167703064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).