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

C68H80F6N14O6 — CID 157094170

IUPAC[(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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(N6CCN(C)CC6)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(N6CCN(C)CC6)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C34H40F3N7O3/c2*1-22-20-42(29(21-45)25-6-5-7-26(18-25)41-14-12-40(3)13-15-41)16-17-43(22)33(46)28-19-38-44-31(34(35,36)37)23(2)30(39-32(28)44)24-8-10-27(47-4)11-9-24/h2*5-11,18-19,22,29,45H,12-17,20-21H2,1-4H3/t22-,29+;22-,29-/m11/s1
InChIKeyAEZZPINCBDDBRN-GOJFGGGMSA-N
MW1303.47 g/mol
LogP8.73
Rot. Bonds14

About [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 157094170) has the molecular formula C68H80F6N14O6 and a molecular weight of 1303.47 g/mol. Its IUPAC name is [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID157094170
Molecular FormulaC68H80F6N14O6
Molecular Weight1303.47 g/mol
Exact Mass1302.63
IUPAC Name[(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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(N6CCN(C)CC6)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(N6CCN(C)CC6)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C34H40F3N7O3/c2*1-22-20-42(29(21-45)25-6-5-7-26(18-25)41-14-12-40(3)13-15-41)16-17-43(22)33(46)28-19-38-44-31(34(35,36)37)23(2)30(39-32(28)44)24-8-10-27(47-4)11-9-24/h2*5-11,18-19,22,29,45H,12-17,20-21H2,1-4H3/t22-,29+;22-,29-/m11/s1
InChIKeyAEZZPINCBDDBRN-GOJFGGGMSA-N
XLogP8.73
TPSA179.36 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.47
LogP ≤ 58.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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

[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 1094062
5-(4-Methoxyphenyl)-3-[(2-pyridin-3-ylpiperidin-1-yl)carbonyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4917699
[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 1094033
[7-(Difluoromethyl)-5-(4-methoxyphenyl)-3-pyrazolo[1,5-a]pyrimidinyl]-(1-piperidinyl)methanone
CID 1094050
N-benzyl-5-(4-methoxyphenyl)-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111019
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-piperidin-1-ylmethanone
CID 1111010
[7-Difluoromethyl-5-(4-methoxy-phenyl)-pyrazolo[1,5-a]pyrimidin-3-yl]-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-methanone
CID 651358
5-(4-Methoxyphenyl)-3-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1007310
5-(4-Methoxyphenyl)-3-(1-pyrrolidinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1111023
7-(Difluoromethyl)-5-(4-methoxyphenyl)-3-(4-morpholinylcarbonyl)pyrazolo[1,5-a]pyrimidine
CID 995999
7-(difluoromethyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-5-(4-methoxyphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1226296
[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 2946914

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 157094170) is [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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(N6CCN(C)CC6)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(N6CCN(C)CC6)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.
What is the InChIKey of [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)phenyl]ethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is AEZZPINCBDDBRN-GOJFGGGMSA-N. The full InChI is InChI=1S/2C34H40F3N7O3/c2*1-22-20-42(29(21-45)25-6-5-7-26(18-25)41-14-12-40(3)13-15-41)16-17-43(22)33(46)28-19-38-44-31(34(35,36)37)23(2)30(39-32(28)44)24-8-10-27(47-4)11-9-24/h2*5-11,18-19,22,29,45H,12-17,20-21H2,1-4H3/t22-,29+;22-,29-/m11/s1.
What are the key properties of [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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 1303.47 g/mol, XLogP of 8.73, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(1S)-2-hydroxy-1-[3-(4-methylpiperazin-1-yl)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-(4-methylpiperazin-1-yl)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 157094170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).