2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid

C29H34N6O6 — CID 160635205

About 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid

2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid (PubChem CID 160635205) has the molecular formula C29H34N6O6 and a molecular weight of 562.63 g/mol. Its IUPAC name is 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid
• PubChem CID: 160635205
• Molecular Formula: C29H34N6O6
• Molecular Weight: 562.63 g/mol
• Exact Mass: 562.25
• IUPAC Name: 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid
• SMILES: CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)COCC(=O)O)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C29H34N6O6/c1-18-23-15-31-24(32-28(23)35(21-5-3-4-6-21)29(40)27(18)19(2)36)13-20-7-8-22(14-30-20)33-9-11-34(12-10-33)25(37)16-41-17-26(38)39/h7-8,14-15,21H,3-6,9-13,16-17H2,1-2H3,(H,38,39)
• InChIKey: BFJUVVSVDFJBEU-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 147.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.63
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid?

The IUPAC name of 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid (CID 160635205) is 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid.

What is the SMILES notation for 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid?

The canonical SMILES for 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid is CC(=O)c1c(C)c2cnc(Cc3ccc(N4CCN(C(=O)COCC(=O)O)CC4)cn3)nc2n(C2CCCC2)c1=O.

What is the InChIKey of 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid?

The InChIKey is BFJUVVSVDFJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O6/c1-18-23-15-31-24(32-28(23)35(21-5-3-4-6-21)29(40)27(18)19(2)36)13-20-7-8-22(14-30-20)33-9-11-34(12-10-33)25(37)16-41-17-26(38)39/h7-8,14-15,21H,3-6,9-13,16-17H2,1-2H3,(H,38,39).

What are the key properties of 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid?

2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid has a molecular weight of 562.63 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)methyl]-3-pyridinyl]piperazin-1-yl]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 160635205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).