3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione

C41H48N8O4 — CID 170586132

About 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione

3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione (PubChem CID 170586132) has the molecular formula C41H48N8O4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
• PubChem CID: 170586132
• Molecular Formula: C41H48N8O4
• Molecular Weight: 716.89 g/mol
• Exact Mass: 716.38
• IUPAC Name: 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCC(N5CCC(c6cccc(C7CCC(=O)NC7=O)c6)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C41H48N8O4/c1-25-34-24-43-41(46-38(34)49(31-8-3-4-9-31)40(53)37(25)26(2)50)44-35-12-10-32(23-42-35)48-20-16-30(17-21-48)47-18-14-27(15-19-47)28-6-5-7-29(22-28)33-11-13-36(51)45-39(33)52/h5-7,10,12,22-24,27,30-31,33H,3-4,8-9,11,13-21H2,1-2H3,(H,45,51,52)(H,42,43,44,46)
• InChIKey: YUXXONSZRXBZEW-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 142.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	716.89
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

The IUPAC name of 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione (CID 170586132) is 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione.

What is the SMILES notation for 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

The canonical SMILES for 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCC(N5CCC(c6cccc(C7CCC(=O)NC7=O)c6)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

The InChIKey is YUXXONSZRXBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N8O4/c1-25-34-24-43-41(46-38(34)49(31-8-3-4-9-31)40(53)37(25)26(2)50)44-35-12-10-32(23-42-35)48-20-16-30(17-21-48)47-18-14-27(15-19-47)28-6-5-7-29(22-28)33-11-13-36(51)45-39(33)52/h5-7,10,12,22-24,27,30-31,33H,3-4,8-9,11,13-21H2,1-2H3,(H,45,51,52)(H,42,43,44,46).

What are the key properties of 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione?

3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione has a molecular weight of 716.89 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[1-[1-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]piperidin-4-yl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170586132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).