(2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone

C26H34ClN5O2 — CID 25171196

About (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone

(2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 25171196) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 25171196
• Molecular Formula: C26H34ClN5O2
• Molecular Weight: 484.04 g/mol
• Exact Mass: 483.24
• IUPAC Name: (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone
• SMILES: CCN1CCC[C@H]1[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1
• InChI: InChI=1S/C26H34ClN5O2/c1-3-30-10-4-5-20(30)23(18-6-8-19(27)9-7-18)26(34)32-13-11-31(12-14-32)25-22-17(2)15-21(33)24(22)28-16-29-25/h6-9,16-17,20-21,23,33H,3-5,10-15H2,1-2H3/t17-,20+,21-,23+/m1/s1
• InChIKey: LUSLIVUWNSKMPC-DKOYFPBOSA-N
• XLogP: 3.59
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.04
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 25171196) is (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

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

The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone is CCN1CCC[C@H]1[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.

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

The InChIKey is LUSLIVUWNSKMPC-DKOYFPBOSA-N. The full InChI is InChI=1S/C26H34ClN5O2/c1-3-30-10-4-5-20(30)23(18-6-8-19(27)9-7-18)26(34)32-13-11-31(12-14-32)25-22-17(2)15-21(33)24(22)28-16-29-25/h6-9,16-17,20-21,23,33H,3-5,10-15H2,1-2H3/t17-,20+,21-,23+/m1/s1.

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

(2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 484.04 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-(4-chlorophenyl)-2-[(2S)-1-ethylpyrrolidin-2-yl]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 25171196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).