6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione

C45H58N10O5 — CID 170586358

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione (PubChem CID 170586358) has the molecular formula C45H58N10O5 and a molecular weight of 819.02 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione
• PubChem CID: 170586358
• Molecular Formula: C45H58N10O5
• Molecular Weight: 819.02 g/mol
• Exact Mass: 818.46
• IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2n(C2CCCC2)c1=O.O=C1CCC(c2ccc(N3CCC(N4CCOCC4)CC3)cc2)C(=O)N1
• InChI: InChI=1S/C25H31N7O2.C20H27N3O3/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33;24-19-6-5-18(20(25)21-19)15-1-3-16(4-2-15)22-9-7-17(8-10-22)23-11-13-26-14-12-23/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,26,27,28,29);1-4,17-18H,5-14H2,(H,21,24,25)
• InChIKey: ILTMEKSAUNHXOQ-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 158.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.02
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione (CID 170586358) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione.

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

The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C)CC4)cn3)nc2n(C2CCCC2)c1=O.O=C1CCC(c2ccc(N3CCC(N4CCOCC4)CC3)cc2)C(=O)N1.

What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione?

The InChIKey is ILTMEKSAUNHXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2.C20H27N3O3/c1-16-20-15-27-25(28-21-9-8-19(14-26-21)31-12-10-30(3)11-13-31)29-23(20)32(18-6-4-5-7-18)24(34)22(16)17(2)33;24-19-6-5-18(20(25)21-19)15-1-3-16(4-2-15)22-9-7-17(8-10-22)23-11-13-26-14-12-23/h8-9,14-15,18H,4-7,10-13H2,1-3H3,(H,26,27,28,29);1-4,17-18H,5-14H2,(H,21,24,25).

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

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione has a molecular weight of 819.02 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one;3-[4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 170586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).