[(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

C60H58F12N10O8 — CID 157068688

IUPAC[(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)c5cccc(OC(F)(F)F)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(OC(F)(F)F)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C30H29F6N5O4/c2*1-17-15-39(24(16-42)20-5-4-6-22(13-20)45-30(34,35)36)11-12-40(17)28(43)23-14-37-41-26(29(31,32)33)18(2)25(38-27(23)41)19-7-9-21(44-3)10-8-19/h2*4-10,13-14,17,24,42H,11-12,15-16H2,1-3H3/t17-,24+;17-,24-/m11/s1
InChIKeyACEFJXGGABPFRI-RYQHKIQLSA-N
MW1275.16 g/mol
LogP11.02
Rot. Bonds14

About [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone

[(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 157068688) has the molecular formula C60H58F12N10O8 and a molecular weight of 1275.16 g/mol. Its IUPAC name is [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID157068688
Molecular FormulaC60H58F12N10O8
Molecular Weight1275.16 g/mol
Exact Mass1274.42
IUPAC Name[(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)c5cccc(OC(F)(F)F)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(OC(F)(F)F)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C30H29F6N5O4/c2*1-17-15-39(24(16-42)20-5-4-6-22(13-20)45-30(34,35)36)11-12-40(17)28(43)23-14-37-41-26(29(31,32)33)18(2)25(38-27(23)41)19-7-9-21(44-3)10-8-19/h2*4-10,13-14,17,24,42H,11-12,15-16H2,1-3H3/t17-,24+;17-,24-/m11/s1
InChIKeyACEFJXGGABPFRI-RYQHKIQLSA-N
XLogP11.02
TPSA184.86 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001275.16
LogP ≤ 511.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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

5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
[7-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazolo[1,5-a]pyrimidin-3-yl]-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-methanone
CID 651358
7-(Difluoromethyl)-5-(4-methoxyphenyl)-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 1304774
(4-Benzylpiperazin-1-yl)[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 2169003
(4-Benzylpiperazin-1-yl)[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 3653129
5-(3,4-dimethoxyphenyl)-3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 3324175
[4-(2-Adamantyl)piperazin-1-yl]-[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 995748
3-[(4-Benzhydryl-1-piperazinyl)carbonyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1046518
(4-Benzhydrylpiperazin-1-yl)-[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1046613
3-[(4-Benzhydryl-1-piperazinyl)carbonyl]-7-(trifluoromethyl)-5-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 4679508
[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19292829
[4-[(2,3-Difluorophenyl)methyl]piperazin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19293043

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 157068688) is [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-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)c5cccc(OC(F)(F)F)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(OC(F)(F)F)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.
What is the InChIKey of [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is ACEFJXGGABPFRI-RYQHKIQLSA-N. The full InChI is InChI=1S/2C30H29F6N5O4/c2*1-17-15-39(24(16-42)20-5-4-6-22(13-20)45-30(34,35)36)11-12-40(17)28(43)23-14-37-41-26(29(31,32)33)18(2)25(38-27(23)41)19-7-9-21(44-3)10-8-19/h2*4-10,13-14,17,24,42H,11-12,15-16H2,1-3H3/t17-,24+;17-,24-/m11/s1.
What are the key properties of [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
[(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 1275.16 g/mol, XLogP of 11.02, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(1S)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone;[(2R)-4-[(1R)-2-hydroxy-1-[3-(trifluoromethoxy)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 157068688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).