N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide

C64H70F6N12O8 — CID 157493373

About N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide

N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide (PubChem CID 157493373) has the molecular formula C64H70F6N12O8 and a molecular weight of 1249.33 g/mol. Its IUPAC name is N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide
• PubChem CID: 157493373
• Molecular Formula: C64H70F6N12O8
• Molecular Weight: 1249.33 g/mol
• Exact Mass: 1248.53
• IUPAC Name: N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide
• SMILES: COc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5cccc(CNC(C)=O)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(CNC(C)=O)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
• InChI: InChI=1S/2C32H35F3N6O4/c2*1-19-17-39(27(18-42)24-7-5-6-22(14-24)15-36-21(3)43)12-13-40(19)31(44)26-16-37-41-29(32(33,34)35)20(2)28(38-30(26)41)23-8-10-25(45-4)11-9-23/h2*5-11,14,16,19,27,42H,12-13,15,17-18H2,1-4H3,(H,36,43)/t19-,27+;19-,27-/m11/s1
• InChIKey: BXNPWCZTPDLPCF-DSGLWIRMSA-N
• XLogP: 8.50
• TPSA: 224.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1249.33
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide?

The IUPAC name of N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide (CID 157493373) is N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide.

What is the SMILES notation for N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide?

The canonical SMILES for N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide is COc1ccc(-c2nc3c(C(=O)N4CCN([C@@H](CO)c5cccc(CNC(C)=O)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.COc1ccc(-c2nc3c(C(=O)N4CCN([C@H](CO)c5cccc(CNC(C)=O)c5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.

What is the InChIKey of N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide?

The InChIKey is BXNPWCZTPDLPCF-DSGLWIRMSA-N. The full InChI is InChI=1S/2C32H35F3N6O4/c2*1-19-17-39(27(18-42)24-7-5-6-22(14-24)15-36-21(3)43)12-13-40(19)31(44)26-16-37-41-29(32(33,34)35)20(2)28(38-30(26)41)23-8-10-25(45-4)11-9-23/h2*5-11,14,16,19,27,42H,12-13,15,17-18H2,1-4H3,(H,36,43)/t19-,27+;19-,27-/m11/s1.

What are the key properties of N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide?

N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide has a molecular weight of 1249.33 g/mol, XLogP of 8.50, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(1S)-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]methyl]acetamide;N-[[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]methyl]acetamide is sourced from PubChem (CID 157493373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).