[(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C56H56Cl2F6N12O6 — CID 158266813

About [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

[(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 158266813) has the molecular formula C56H56Cl2F6N12O6 and a molecular weight of 1178.04 g/mol. Its IUPAC name is [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
• PubChem CID: 158266813
• Molecular Formula: C56H56Cl2F6N12O6
• Molecular Weight: 1178.04 g/mol
• Exact Mass: 1176.37
• IUPAC Name: [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
• SMILES: COc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5ccc(Cl)nc5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5ccc(Cl)nc5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
• InChI: InChI=1S/2C28H28ClF3N6O3/c2*1-16-14-36(22(15-39)19-6-9-23(29)33-12-19)10-11-37(16)27(40)21-13-34-38-25(28(30,31)32)17(2)24(35-26(21)38)18-4-7-20(41-3)8-5-18/h2*4-9,12-13,16,22,39H,10-11,14-15H2,1-3H3/t16-,22+;16-,22-/m11/s1
• InChIKey: GINXAICAKFPPCL-JVBFKMNESA-N
• XLogP: 9.32
• TPSA: 192.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1178.04
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?

The IUPAC name of [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 158266813) is [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone.

What is the SMILES notation for [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?

The canonical SMILES for [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is COc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5ccc(Cl)nc5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5ccc(Cl)nc5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.

What is the InChIKey of [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?

The InChIKey is GINXAICAKFPPCL-JVBFKMNESA-N. The full InChI is InChI=1S/2C28H28ClF3N6O3/c2*1-16-14-36(22(15-39)19-6-9-23(29)33-12-19)10-11-37(16)27(40)21-13-34-38-25(28(30,31)32)17(2)24(35-26(21)38)18-4-7-20(41-3)8-5-18/h2*4-9,12-13,16,22,39H,10-11,14-15H2,1-3H3/t16-,22+;16-,22-/m11/s1.

What are the key properties of [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?

[(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 1178.04 g/mol, XLogP of 9.32, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-4-[(1S)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-1-(6-chloro-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 158266813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).