3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C₄₃H₄₁Br₂Cl₂F₃N₁₀ — CID 158837612

About 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158837612) has the molecular formula C₄₃H₄₁Br₂Cl₂F₃N₁₀ and a molecular weight of 985.58 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158837612
• Molecular Formula: C₄₃H₄₁Br₂Cl₂F₃N₁₀
• Molecular Weight: 985.58 g/mol
• Exact Mass: 982.12
• IUPAC Name: 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: CN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.FC(F)(F)c1ccccc1CN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1
• InChI: InChI=1S/C25H22BrClF3N5.C18H19BrClN5/c26-20-14-31-35-23(13-22(33-24(20)35)18-6-2-4-8-21(18)27)32-17-9-11-34(12-10-17)15-16-5-1-3-7-19(16)25(28,29)30;1-24-8-6-12(7-9-24)22-17-10-16(13-4-2-3-5-15(13)20)23-18-14(19)11-21-25(17)18/h1-8,13-14,17,32H,9-12,15H2;2-5,10-12,22H,6-9H2,1H3
• InChIKey: IXVIJGFHCKUYEZ-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 90.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.58
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158837612) is 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is CN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.FC(F)(F)c1ccccc1CN1CCC(Nc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)CC1.

What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is IXVIJGFHCKUYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrClF3N5.C18H19BrClN5/c26-20-14-31-35-23(13-22(33-24(20)35)18-6-2-4-8-21(18)27)32-17-9-11-34(12-10-17)15-16-5-1-3-7-19(16)25(28,29)30;1-24-8-6-12(7-9-24)22-17-10-16(13-4-2-3-5-15(13)20)23-18-14(19)11-21-25(17)18/h1-8,13-14,17,32H,9-12,15H2;2-5,10-12,22H,6-9H2,1H3.

What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?

3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 985.58 g/mol, XLogP of 11.23, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(2-chlorophenyl)-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-chlorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158837612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158837612 — identifiers, structure, computed properties (public domain)

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