[(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;[(2R)-4-[(1S)-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

C54H56F6N10O8 — CID 157296374

IUPAC[(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;[(2R)-4-[(1S)-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
SMILESCOc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5ccco5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5ccco5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C27H28F3N5O4/c2*1-16-14-33(21(15-36)22-5-4-12-39-22)10-11-34(16)26(37)20-13-31-35-24(27(28,29)30)17(2)23(32-25(20)35)18-6-8-19(38-3)9-7-18/h2*4-9,12-13,16,21,36H,10-11,14-15H2,1-3H3/t16-,21+;16-,21-/m11/s1
InChIKeyBBJXGUDYYMQPKQ-DSFCCNILSA-N
MW1087.09 g/mol
LogP8.41
Rot. Bonds12

About [(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;[(2R)-4-[(1S)-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

[(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;[(2R)-4-[(1S)-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 (PubChem CID 157296374) has the molecular formula C54H56F6N10O8 and a molecular weight of 1087.09 g/mol. Its IUPAC name is [(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;[(2R)-4-[(1S)-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.

Molecular Properties

Compound Name[(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;[(2R)-4-[(1S)-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
PubChem CID157296374
Molecular FormulaC54H56F6N10O8
Molecular Weight1087.09 g/mol
Exact Mass1086.42
IUPAC Name[(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;[(2R)-4-[(1S)-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
SMILESCOc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5ccco5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5ccco5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
InChIInChI=1S/2C27H28F3N5O4/c2*1-16-14-33(21(15-36)22-5-4-12-39-22)10-11-34(16)26(37)20-13-31-35-24(27(28,29)30)17(2)23(32-25(20)35)18-6-8-19(38-3)9-7-18/h2*4-9,12-13,16,21,36H,10-11,14-15H2,1-3H3/t16-,21+;16-,21-/m11/s1
InChIKeyBBJXGUDYYMQPKQ-DSFCCNILSA-N
XLogP8.41
TPSA192.68 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001087.09
LogP ≤ 58.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze [(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;[(2R)-4-[(1S)-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 with MolForge

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Related Compounds

7-(Difluoromethyl)-3-{[4-(2-furoyl)-1-piperazinyl]carbonyl}-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 2169042
3-[(4-Benzhydryl-1-piperazinyl)carbonyl]-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1111055
(4-Benzylpiperazin-1-yl)[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 1370190
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
[4-(Furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 19572552
[(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)-2-[(3R)-4-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3-methylpiperazin-1-yl]-2-phenylacetic acid
CID 57830346
[(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

Frequently Asked Questions

What is the IUPAC name of [(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;[(2R)-4-[(1S)-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?
The IUPAC name of [(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;[(2R)-4-[(1S)-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 157296374) is [(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;[(2R)-4-[(1S)-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.
What is the SMILES notation for [(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;[(2R)-4-[(1S)-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?
The canonical SMILES for [(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;[(2R)-4-[(1S)-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 is COc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5ccco5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5ccco5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.
What is the InChIKey of [(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;[(2R)-4-[(1S)-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?
The InChIKey is BBJXGUDYYMQPKQ-DSFCCNILSA-N. The full InChI is InChI=1S/2C27H28F3N5O4/c2*1-16-14-33(21(15-36)22-5-4-12-39-22)10-11-34(16)26(37)20-13-31-35-24(27(28,29)30)17(2)23(32-25(20)35)18-6-8-19(38-3)9-7-18/h2*4-9,12-13,16,21,36H,10-11,14-15H2,1-3H3/t16-,21+;16-,21-/m11/s1.
What are the key properties of [(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;[(2R)-4-[(1S)-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?
[(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;[(2R)-4-[(1S)-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 has a molecular weight of 1087.09 g/mol, XLogP of 8.41, 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-(furan-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-(furan-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 157296374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).