[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone

C28H30F3N7O2 — CID 162585310

About [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone

[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone (PubChem CID 162585310) has the molecular formula C28H30F3N7O2 and a molecular weight of 553.59 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone
• PubChem CID: 162585310
• Molecular Formula: C28H30F3N7O2
• Molecular Weight: 553.59 g/mol
• Exact Mass: 553.24
• IUPAC Name: [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone
• SMILES: COc1ccc(-c2nc3c(C(=O)N4CCN(C5(c6ccn(C)n6)CC5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1
• InChI: InChI=1S/C28H30F3N7O2/c1-17-16-36(27(10-11-27)22-9-12-35(3)34-22)13-14-37(17)26(39)21-15-32-38-24(28(29,30)31)18(2)23(33-25(21)38)19-5-7-20(40-4)8-6-19/h5-9,12,15,17H,10-11,13-14,16H2,1-4H3/t17-/m1/s1
• InChIKey: WMVYUTCNOMCTEI-QGZVFWFLSA-N
• XLogP: 4.30
• TPSA: 80.79 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.59
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone?

The IUPAC name of [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone (CID 162585310) is [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone.

What is the SMILES notation for [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone?

The canonical SMILES for [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone is COc1ccc(-c2nc3c(C(=O)N4CCN(C5(c6ccn(C)n6)CC5)C[C@H]4C)cnn3c(C(F)(F)F)c2C)cc1.

What is the InChIKey of [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone?

The InChIKey is WMVYUTCNOMCTEI-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H30F3N7O2/c1-17-16-36(27(10-11-27)22-9-12-35(3)34-22)13-14-37(17)26(39)21-15-32-38-24(28(29,30)31)18(2)23(33-25(21)38)19-5-7-20(40-4)8-6-19/h5-9,12,15,17H,10-11,13-14,16H2,1-4H3/t17-/m1/s1.

What are the key properties of [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone?

[5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone has a molecular weight of 553.59 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-methoxyphenyl)-6-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(2R)-2-methyl-4-[1-(1-methylpyrazol-3-yl)cyclopropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 162585310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).