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

C62H60F6N10O8 — CID 157108973

IUPAC[(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCOc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5cc6ccccc6o5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cc6ccccc6o5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C31H30F3N5O4/c2*1-18-16-37(24(17-40)26-14-21-6-4-5-7-25(21)43-26)12-13-38(18)30(41)23-15-35-39-28(31(32,33)34)19(2)27(36-29(23)39)20-8-10-22(42-3)11-9-20/h2*4-11,14-15,18,24,40H,12-13,16-17H2,1-3H3/t18-,24+;18-,24-/m11/s1
InChIKeyAGPXZLGXEMOHKM-GXHMTMOFSA-N
MW1187.21 g/mol
LogP10.72
Rot. Bonds12

About [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 157108973) has the molecular formula C62H60F6N10O8 and a molecular weight of 1187.21 g/mol. Its IUPAC name is [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID157108973
Molecular FormulaC62H60F6N10O8
Molecular Weight1187.21 g/mol
Exact Mass1186.45
IUPAC Name[(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCOc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5cc6ccccc6o5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cc6ccccc6o5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C31H30F3N5O4/c2*1-18-16-37(24(17-40)26-14-21-6-4-5-7-25(21)43-26)12-13-38(18)30(41)23-15-35-39-28(31(32,33)34)19(2)27(36-29(23)39)20-8-10-22(42-3)11-9-20/h2*4-11,14-15,18,24,40H,12-13,16-17H2,1-3H3/t18-,24+;18-,24-/m11/s1
InChIKeyAGPXZLGXEMOHKM-GXHMTMOFSA-N
XLogP10.72
TPSA192.68 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.21
LogP ≤ 510.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone with MolForge

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Related Compounds

1-[7-(Difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-A]pyrimidine-3-carbonyl]-2-(furan-2-YL)pyrrolidine
CID 45924567
2-(2-Furyl)pyrrolidinyl 5-(2-methoxyphenyl)-7-(trifluoromethyl)(8-hydropyrazol o[1,5-a]pyrimidin-3-yl) ketone
CID 45924961
[(2R)-4-[(1S)-1-(2-Furanyl)ethyl]-2-methyl-1-piperazinyl][5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 25106849
[(2R)-4-[(1R)-1-(furan-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 25107028
[(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 57830357
[(2R)-4-[(1S)-1-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 57830402
1-[4-fluoro-3-[(1R)-2-hydroxy-1-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]ethyl]phenyl]ethanone
CID 57830419
3-[2-hydroxy-1-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]ethyl]benzamide
CID 57830548
1-[3-[2-hydroxy-1-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]ethyl]phenyl]ethanone
CID 57830551
3-[(1R)-2-hydroxy-1-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]ethyl]benzamide
CID 57830578
[(2R)-4-[1-(furan-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 57830634
1-[3-[(1R)-2-hydroxy-1-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]ethyl]phenyl]ethanone
CID 57830667

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 157108973) is [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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)c5cc6ccccc6o5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cc6ccccc6o5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.
What is the InChIKey of [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is AGPXZLGXEMOHKM-GXHMTMOFSA-N. The full InChI is InChI=1S/2C31H30F3N5O4/c2*1-18-16-37(24(17-40)26-14-21-6-4-5-7-25(21)43-26)12-13-38(18)30(41)23-15-35-39-28(31(32,33)34)19(2)27(36-29(23)39)20-8-10-22(42-3)11-9-20/h2*4-11,14-15,18,24,40H,12-13,16-17H2,1-3H3/t18-,24+;18-,24-/m11/s1.
What are the key properties of [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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 1187.21 g/mol, XLogP of 10.72, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(1R)-1-(1-benzofuran-2-yl)-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-(1-benzofuran-2-yl)-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 157108973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).