(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

C₂₀H₁₈F₃N₇O — CID 168678888

About (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine

(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (PubChem CID 168678888) has the molecular formula C₂₀H₁₈F₃N₇O and a molecular weight of 429.41 g/mol. Its IUPAC name is (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

Molecular Properties

• Compound Name: (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
• PubChem CID: 168678888
• Molecular Formula: C₂₀H₁₈F₃N₇O
• Molecular Weight: 429.41 g/mol
• Exact Mass: 429.15
• IUPAC Name: (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
• SMILES: C[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)n2ncc(-c3ccn[nH]3)c2n1
• InChI: InChI=1S/C20H18F3N7O/c1-12-11-31-8-7-29(12)17-9-16(13-3-2-5-24-18(13)20(21,22)23)30-19(27-17)14(10-26-30)15-4-6-25-28-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,25,28)/t12-/m1/s1
• InChIKey: ZQHYMLVDLNNXMY-GFCCVEGCSA-N
• XLogP: 3.43
• TPSA: 84.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.41
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

The IUPAC name of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine (CID 168678888) is (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine.

What is the SMILES notation for (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

The canonical SMILES for (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is C[C@@H]1COCCN1c1cc(-c2cccnc2C(F)(F)F)n2ncc(-c3ccn[nH]3)c2n1.

What is the InChIKey of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

The InChIKey is ZQHYMLVDLNNXMY-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18F3N7O/c1-12-11-31-8-7-29(12)17-9-16(13-3-2-5-24-18(13)20(21,22)23)30-19(27-17)14(10-26-30)15-4-6-25-28-15/h2-6,9-10,12H,7-8,11H2,1H3,(H,25,28)/t12-/m1/s1.

What are the key properties of (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine?

(3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine has a molecular weight of 429.41 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-methyl-4-[3-(1H-pyrazol-5-yl)-7-[2-(trifluoromethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine is sourced from PubChem (CID 168678888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168678888 — identifiers, structure, computed properties (public domain)

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