N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide

C29H36N8O6S — CID 170311118

About N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide

N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide (PubChem CID 170311118) has the molecular formula C29H36N8O6S and a molecular weight of 624.72 g/mol. Its IUPAC name is N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide
• PubChem CID: 170311118
• Molecular Formula: C29H36N8O6S
• Molecular Weight: 624.72 g/mol
• Exact Mass: 624.25
• IUPAC Name: N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide
• SMILES: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(S(=O)(=O)NC(=O)C5CCCO5)CC4)cn3)nc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C29H36N8O6S/c1-18-22-17-31-29(33-26(22)37(20-6-3-4-7-20)28(40)25(18)19(2)38)32-24-10-9-21(16-30-24)35-11-13-36(14-12-35)44(41,42)34-27(39)23-8-5-15-43-23/h9-10,16-17,20,23H,3-8,11-15H2,1-2H3,(H,34,39)(H,30,31,32,33)
• InChIKey: IUZOIQLETONQSI-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 168.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.72
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

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

The IUPAC name of N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide (CID 170311118) is N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide.

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

The canonical SMILES for N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide is CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(S(=O)(=O)NC(=O)C5CCCO5)CC4)cn3)nc2n(C2CCCC2)c1=O.

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

The InChIKey is IUZOIQLETONQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O6S/c1-18-22-17-31-29(33-26(22)37(20-6-3-4-7-20)28(40)25(18)19(2)38)32-24-10-9-21(16-30-24)35-11-13-36(14-12-35)44(41,42)34-27(39)23-8-5-15-43-23/h9-10,16-17,20,23H,3-8,11-15H2,1-2H3,(H,34,39)(H,30,31,32,33).

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

N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide has a molecular weight of 624.72 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl]piperazin-1-yl]sulfonyloxolane-2-carboxamide is sourced from PubChem (CID 170311118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).