(2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone

C24H32ClN5O2S — CID 25172034

About (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone

(2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 25172034) has the molecular formula C24H32ClN5O2S and a molecular weight of 490.07 g/mol. Its IUPAC name is (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

• Compound Name: (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
• PubChem CID: 25172034
• Molecular Formula: C24H32ClN5O2S
• Molecular Weight: 490.07 g/mol
• Exact Mass: 489.20
• IUPAC Name: (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone
• SMILES: C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](c4ccc(Cl)s4)[C@@H]4CCCN4C)C[C@@H]3C)c21
• InChI: InChI=1S/C24H32ClN5O2S/c1-14-11-17(31)22-20(14)23(27-13-26-22)30-10-9-29(12-15(30)2)24(32)21(16-5-4-8-28(16)3)18-6-7-19(25)33-18/h6-7,13-17,21,31H,4-5,8-12H2,1-3H3/t14-,15+,16+,17-,21-/m1/s1
• InChIKey: WDYUFNIREHLJJL-QTIHUPTLSA-N
• XLogP: 3.65
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.07
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?

The IUPAC name of (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone (CID 25172034) is (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone.

What is the SMILES notation for (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?

The canonical SMILES for (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone is C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@@H](c4ccc(Cl)s4)[C@@H]4CCCN4C)C[C@@H]3C)c21.

What is the InChIKey of (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?

The InChIKey is WDYUFNIREHLJJL-QTIHUPTLSA-N. The full InChI is InChI=1S/C24H32ClN5O2S/c1-14-11-17(31)22-20(14)23(27-13-26-22)30-10-9-29(12-15(30)2)24(32)21(16-5-4-8-28(16)3)18-6-7-19(25)33-18/h6-7,13-17,21,31H,4-5,8-12H2,1-3H3/t14-,15+,16+,17-,21-/m1/s1.

What are the key properties of (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone?

(2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 490.07 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(5-chlorothiophen-2-yl)-1-[(3S)-4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-[(2S)-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 25172034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).