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

C60H66F6N12O8 — CID 162252572

IUPAC[(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCOc1ccc([C@@H](CO)N2CCN(C(=O)c3cnn4c(C(F)(F)F)c(C)c(-c5ccc(OC)cc5)nc34)[C@H](C)C2)cn1.CCOc1ccc([C@H](CO)N2CCN(C(=O)c3cnn4c(C(F)(F)F)c(C)c(-c5ccc(OC)cc5)nc34)[C@H](C)C2)cn1
InChIInChI=1S/2C30H33F3N6O4/c2*1-5-43-25-11-8-21(14-34-25)24(17-40)37-12-13-38(18(2)16-37)29(41)23-15-35-39-27(30(31,32)33)19(3)26(36-28(23)39)20-6-9-22(42-4)10-7-20/h2*6-11,14-15,18,24,40H,5,12-13,16-17H2,1-4H3/t18-,24+;18-,24-/m11/s1
InChIKeyZYEHHRIEXVBEGD-GXHMTMOFSA-N
MW1197.25 g/mol
LogP8.81
Rot. Bonds16

About [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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 162252572) has the molecular formula C60H66F6N12O8 and a molecular weight of 1197.25 g/mol. Its IUPAC name is [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID162252572
Molecular FormulaC60H66F6N12O8
Molecular Weight1197.25 g/mol
Exact Mass1196.50
IUPAC Name[(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCOc1ccc([C@@H](CO)N2CCN(C(=O)c3cnn4c(C(F)(F)F)c(C)c(-c5ccc(OC)cc5)nc34)[C@H](C)C2)cn1.CCOc1ccc([C@H](CO)N2CCN(C(=O)c3cnn4c(C(F)(F)F)c(C)c(-c5ccc(OC)cc5)nc34)[C@H](C)C2)cn1
InChIInChI=1S/2C30H33F3N6O4/c2*1-5-43-25-11-8-21(14-34-25)24(17-40)37-12-13-38(18(2)16-37)29(41)23-15-35-39-27(30(31,32)33)19(3)26(36-28(23)39)20-6-9-22(42-4)10-7-20/h2*6-11,14-15,18,24,40H,5,12-13,16-17H2,1-4H3/t18-,24+;18-,24-/m11/s1
InChIKeyZYEHHRIEXVBEGD-GXHMTMOFSA-N
XLogP8.81
TPSA210.64 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.25
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-3-pyridinyl)-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-[(3R)-3-[4-amino-3-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 130203369
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
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[3-[4-Amino-3-[2-fluoro-4-(2,3,5,6-tetrafluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 118494399
N-((1S)-2-hydroxy-2-methyl-1-(4-(trifluoromethoxy)phenyl)propyl)-5-(4-methyl-1H-1,2,3-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361623
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CID 121471904
1-[(3R)-3-[4-amino-3-[6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 139465197
[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
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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
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US11780845, Example 622
CID 155309248

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 162252572) is [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCOc1ccc([C@@H](CO)N2CCN(C(=O)c3cnn4c(C(F)(F)F)c(C)c(-c5ccc(OC)cc5)nc34)[C@H](C)C2)cn1.CCOc1ccc([C@H](CO)N2CCN(C(=O)c3cnn4c(C(F)(F)F)c(C)c(-c5ccc(OC)cc5)nc34)[C@H](C)C2)cn1.
What is the InChIKey of [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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 ZYEHHRIEXVBEGD-GXHMTMOFSA-N. The full InChI is InChI=1S/2C30H33F3N6O4/c2*1-5-43-25-11-8-21(14-34-25)24(17-40)37-12-13-38(18(2)16-37)29(41)23-15-35-39-27(30(31,32)33)19(3)26(36-28(23)39)20-6-9-22(42-4)10-7-20/h2*6-11,14-15,18,24,40H,5,12-13,16-17H2,1-4H3/t18-,24+;18-,24-/m11/s1.
What are the key properties of [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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 1197.25 g/mol, XLogP of 8.81, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[(1S)-1-(6-ethoxy-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-ethoxy-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 162252572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).