[(2R)-4-[(1S)-1-(2-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-(2-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 159773890

IUPAC[(2R)-4-[(1S)-1-(2-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-(2-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCOc1ncccc1[C@@H](CO)N1CCN(C(=O)c2cnn3c(C(F)(F)F)c(C)c(-c4ccc(OC)cc4)nc23)[C@H](C)C1.CCOc1ncccc1[C@H](CO)N1CCN(C(=O)c2cnn3c(C(F)(F)F)c(C)c(-c4ccc(OC)cc4)nc23)[C@H](C)C1
InChIInChI=1S/2C30H33F3N6O4/c2*1-5-43-28-22(7-6-12-34-28)24(17-40)37-13-14-38(18(2)16-37)29(41)23-15-35-39-26(30(31,32)33)19(3)25(36-27(23)39)20-8-10-21(42-4)11-9-20/h2*6-12,15,18,24,40H,5,13-14,16-17H2,1-4H3/t18-,24+;18-,24-/m11/s1
InChIKeyNGMAGKNQXQLMOM-GXHMTMOFSA-N
MW1197.25 g/mol
LogP8.81
Rot. Bonds16

About [(2R)-4-[(1S)-1-(2-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-(2-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-(2-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-(2-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 159773890) has the molecular formula C60H66F6N12O8 and a molecular weight of 1197.25 g/mol. Its IUPAC name is [(2R)-4-[(1S)-1-(2-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-(2-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-(2-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-(2-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 CID159773890
Molecular FormulaC60H66F6N12O8
Molecular Weight1197.25 g/mol
Exact Mass1196.50
IUPAC Name[(2R)-4-[(1S)-1-(2-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-(2-ethoxy-3-pyridinyl)-2-hydroxyethyl]-2-methylpiperazin-1-yl]-[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCOc1ncccc1[C@@H](CO)N1CCN(C(=O)c2cnn3c(C(F)(F)F)c(C)c(-c4ccc(OC)cc4)nc23)[C@H](C)C1.CCOc1ncccc1[C@H](CO)N1CCN(C(=O)c2cnn3c(C(F)(F)F)c(C)c(-c4ccc(OC)cc4)nc23)[C@H](C)C1
InChIInChI=1S/2C30H33F3N6O4/c2*1-5-43-28-22(7-6-12-34-28)24(17-40)37-13-14-38(18(2)16-37)29(41)23-15-35-39-26(30(31,32)33)19(3)25(36-27(23)39)20-8-10-21(42-4)11-9-20/h2*6-12,15,18,24,40H,5,13-14,16-17H2,1-4H3/t18-,24+;18-,24-/m11/s1
InChIKeyNGMAGKNQXQLMOM-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-(2-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-(2-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
[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
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
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
US11780845, Example 646
CID 155310737
US11780845, Example 643
CID 155310738
1-[(3R)-3-[4-amino-3-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 177375143
[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone
CID 995978
7-(Difluoromethyl)-5-(4-methoxyphenyl)-3-[(4-phenyl-1-piperazinyl)carbonyl]pyrazolo[1,5-a]pyrimidine
CID 1226210
7-(Difluoromethyl)-5-(4-methoxyphenyl)-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}pyrazolo[1,5-a]pyrimidine
CID 1304774

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[(1S)-1-(2-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-(2-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-(2-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-(2-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 159773890) is [(2R)-4-[(1S)-1-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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 CCOc1ncccc1[C@@H](CO)N1CCN(C(=O)c2cnn3c(C(F)(F)F)c(C)c(-c4ccc(OC)cc4)nc23)[C@H](C)C1.CCOc1ncccc1[C@H](CO)N1CCN(C(=O)c2cnn3c(C(F)(F)F)c(C)c(-c4ccc(OC)cc4)nc23)[C@H](C)C1.
What is the InChIKey of [(2R)-4-[(1S)-1-(2-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-(2-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 NGMAGKNQXQLMOM-GXHMTMOFSA-N. The full InChI is InChI=1S/2C30H33F3N6O4/c2*1-5-43-28-22(7-6-12-34-28)24(17-40)37-13-14-38(18(2)16-37)29(41)23-15-35-39-26(30(31,32)33)19(3)25(36-27(23)39)20-8-10-21(42-4)11-9-20/h2*6-12,15,18,24,40H,5,13-14,16-17H2,1-4H3/t18-,24+;18-,24-/m11/s1.
What are the key properties of [(2R)-4-[(1S)-1-(2-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-(2-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-(2-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-(2-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-(2-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-(2-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 159773890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).