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

C24H36N6O5S — CID 134257192

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

4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide (PubChem CID 134257192) has the molecular formula C24H36N6O5S and a molecular weight of 520.66 g/mol. Its IUPAC name is 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide
• PubChem CID: 134257192
• Molecular Formula: C24H36N6O5S
• Molecular Weight: 520.66 g/mol
• Exact Mass: 520.25
• IUPAC Name: 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide
• SMILES: Cc1cc2cnc(NC3CCN(S(=O)(=O)NC4CCOCC4)CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
• InChI: InChI=1S/C24H36N6O5S/c1-16-14-17-15-25-23(27-21(17)30(22(16)31)20-4-3-9-24(20,2)32)26-18-5-10-29(11-6-18)36(33,34)28-19-7-12-35-13-8-19/h14-15,18-20,28,32H,3-13H2,1-2H3,(H,25,26,27)/t20-,24-/m1/s1
• InChIKey: CWXXTQWYYXYXTG-HYBUGGRVSA-N
• XLogP: 1.47
• TPSA: 138.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.66
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide (CID 134257192) is 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide.

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

The canonical SMILES for 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide is Cc1cc2cnc(NC3CCN(S(=O)(=O)NC4CCOCC4)CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O.

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

The InChIKey is CWXXTQWYYXYXTG-HYBUGGRVSA-N. The full InChI is InChI=1S/C24H36N6O5S/c1-16-14-17-15-25-23(27-21(17)30(22(16)31)20-4-3-9-24(20,2)32)26-18-5-10-29(11-6-18)36(33,34)28-19-7-12-35-13-8-19/h14-15,18-20,28,32H,3-13H2,1-2H3,(H,25,26,27)/t20-,24-/m1/s1.

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

4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide has a molecular weight of 520.66 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-6-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 134257192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).