6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

C30H40N8O2 — CID 118699872

About 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118699872) has the molecular formula C30H40N8O2 and a molecular weight of 544.70 g/mol. Its IUPAC name is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 118699872
• Molecular Formula: C30H40N8O2
• Molecular Weight: 544.70 g/mol
• Exact Mass: 544.33
• IUPAC Name: 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C5CCNCC5)C[C@H]4C)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C30H40N8O2/c1-19-18-36(22-10-12-31-13-11-22)14-15-37(19)24-8-9-26(32-16-24)34-30-33-17-25-20(2)27(21(3)39)29(40)38(28(25)35-30)23-6-4-5-7-23/h8-9,16-17,19,22-23,31H,4-7,10-15,18H2,1-3H3,(H,32,33,34,35)/t19-/m1/s1
• InChIKey: UJCJORHZEZOYNO-LJQANCHMSA-N
• XLogP: 3.82
• TPSA: 108.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.70
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one (CID 118699872) is 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(C5CCNCC5)C[C@H]4C)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is UJCJORHZEZOYNO-LJQANCHMSA-N. The full InChI is InChI=1S/C30H40N8O2/c1-19-18-36(22-10-12-31-13-11-22)14-15-37(19)24-8-9-26(32-16-24)34-30-33-17-25-20(2)27(21(3)39)29(40)38(28(25)35-30)23-6-4-5-7-23/h8-9,16-17,19,22-23,31H,4-7,10-15,18H2,1-3H3,(H,32,33,34,35)/t19-/m1/s1.

What are the key properties of 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one?

6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 544.70 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-[(2R)-2-methyl-4-piperidin-4-ylpiperazin-1-yl]-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118699872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).