4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide

C24H36N6O4S — CID 134257359

About 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide

4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide (PubChem CID 134257359) has the molecular formula C24H36N6O4S and a molecular weight of 504.66 g/mol. Its IUPAC name is 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide
• PubChem CID: 134257359
• Molecular Formula: C24H36N6O4S
• Molecular Weight: 504.66 g/mol
• Exact Mass: 504.25
• IUPAC Name: 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide
• SMILES: Cc1cc2cnc(NC3CCN(S(=O)(=O)NC[C@H]4CCCO4)CC3)nc2n([C@@H]2CCC[C@@H]2C)c1=O
• InChI: InChI=1S/C24H36N6O4S/c1-16-5-3-7-21(16)30-22-18(13-17(2)23(30)31)14-25-24(28-22)27-19-8-10-29(11-9-19)35(32,33)26-15-20-6-4-12-34-20/h13-14,16,19-21,26H,3-12,15H2,1-2H3,(H,25,27,28)/t16-,20+,21+/m0/s1
• InChIKey: OEQLRGDAZFLIDA-ZLGUVYLKSA-N
• XLogP: 2.35
• TPSA: 118.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.66
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?

The IUPAC name of 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide (CID 134257359) is 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide.

What is the SMILES notation for 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?

The canonical SMILES for 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide is Cc1cc2cnc(NC3CCN(S(=O)(=O)NC[C@H]4CCCO4)CC3)nc2n([C@@H]2CCC[C@@H]2C)c1=O.

What is the InChIKey of 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?

The InChIKey is OEQLRGDAZFLIDA-ZLGUVYLKSA-N. The full InChI is InChI=1S/C24H36N6O4S/c1-16-5-3-7-21(16)30-22-18(13-17(2)23(30)31)14-25-24(28-22)27-19-8-10-29(11-9-19)35(32,33)26-15-20-6-4-12-34-20/h13-14,16,19-21,26H,3-12,15H2,1-2H3,(H,25,27,28)/t16-,20+,21+/m0/s1.

What are the key properties of 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide?

4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 504.66 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-methyl-8-[(1R,2S)-2-methylcyclopentyl]-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 134257359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).