2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone

C27H36ClN5O — CID 143740185

About 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone

2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone (PubChem CID 143740185) has the molecular formula C27H36ClN5O and a molecular weight of 482.07 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone
• PubChem CID: 143740185
• Molecular Formula: C27H36ClN5O
• Molecular Weight: 482.07 g/mol
• Exact Mass: 481.26
• IUPAC Name: 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone
• SMILES: CC1C[C@H](C)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)[C@@H]4CCC(C)(C)N4)CC3)c21
• InChI: InChI=1S/C27H36ClN5O/c1-17-15-18(2)24-22(17)25(30-16-29-24)32-11-13-33(14-12-32)26(34)23(19-5-7-20(28)8-6-19)21-9-10-27(3,4)31-21/h5-8,16-18,21,23,31H,9-15H2,1-4H3/t17?,18-,21-,23?/m0/s1
• InChIKey: XMRYKHZTYIFKIB-LDCXFNBKSA-N
• XLogP: 4.70
• TPSA: 61.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.07
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone (CID 143740185) is 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone.

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

The canonical SMILES for 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone is CC1C[C@H](C)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)[C@@H]4CCC(C)(C)N4)CC3)c21.

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

The InChIKey is XMRYKHZTYIFKIB-LDCXFNBKSA-N. The full InChI is InChI=1S/C27H36ClN5O/c1-17-15-18(2)24-22(17)25(30-16-29-24)32-11-13-33(14-12-32)26(34)23(19-5-7-20(28)8-6-19)21-9-10-27(3,4)31-21/h5-8,16-18,21,23,31H,9-15H2,1-4H3/t17?,18-,21-,23?/m0/s1.

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

2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone has a molecular weight of 482.07 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-1-[4-[(7S)-5,7-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-2-[(2S)-5,5-dimethylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 143740185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).