N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C117H105Br6ClFN37O — CID 161244283

About N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161244283) has the molecular formula C117H105Br6ClFN37O and a molecular weight of 2579.26 g/mol. Its IUPAC name is N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 161244283
• Molecular Formula: C117H105Br6ClFN37O
• Molecular Weight: 2579.26 g/mol
• Exact Mass: 2571.41
• IUPAC Name: N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Brc1cnn2c(NCc3ccc(N4CCCC4)nc3)cc(-c3ccccc3)nc12.CN(C)c1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.CNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.COCCNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Nc1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cn1.Nc1ncc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1
• InChI: InChI=1S/C22H21BrN6.C21H21BrN6O.C20H19BrN6.C19H17BrN6.C18H14BrFN6.C17H13BrClN7/c23-18-15-26-29-21(12-19(27-22(18)29)17-6-2-1-3-7-17)25-14-16-8-9-20(24-13-16)28-10-4-5-11-28;1-29-10-9-23-19-8-7-15(12-24-19)13-25-20-11-18(16-5-3-2-4-6-16)27-21-17(22)14-26-28(20)21;1-26(2)18-9-8-14(11-22-18)12-23-19-10-17(15-6-4-3-5-7-15)25-20-16(21)13-24-27(19)20;1-21-17-8-7-13(10-22-17)11-23-18-9-16(14-5-3-2-4-6-14)25-19-15(20)12-24-26(18)19;19-13-10-24-26-17(23-9-11-5-6-16(21)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)20;18-12-9-24-26-15(21-6-10-7-22-17(20)23-8-10)5-14(25-16(12)26)11-3-1-2-4-13(11)19/h1-3,6-9,12-13,15,25H,4-5,10-11,14H2;2-8,11-12,14,25H,9-10,13H2,1H3,(H,23,24);3-11,13,23H,12H2,1-2H3;2-10,12,23H,11H2,1H3,(H,21,22);1-8,10,23H,9H2,(H2,21,22);1-5,7-9,21H,6H2,(H2,20,22,23)
• InChIKey: VAKQBVCBDLTASI-UHFFFAOYSA-N
• XLogP: 25.11
• TPSA: 435.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2579.26
LogP ≤ 5	25.11
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 161244283) is N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(NCc3ccc(N4CCCC4)nc3)cc(-c3ccccc3)nc12.CN(C)c1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.CNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.COCCNc1ccc(CNc2cc(-c3ccccc3)nc3c(Br)cnn23)cn1.Nc1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cn1.Nc1ncc(CNc2cc(-c3ccccc3Cl)nc3c(Br)cnn23)cn1.

What is the InChIKey of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is VAKQBVCBDLTASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN6.C21H21BrN6O.C20H19BrN6.C19H17BrN6.C18H14BrFN6.C17H13BrClN7/c23-18-15-26-29-21(12-19(27-22(18)29)17-6-2-1-3-7-17)25-14-16-8-9-20(24-13-16)28-10-4-5-11-28;1-29-10-9-23-19-8-7-15(12-24-19)13-25-20-11-18(16-5-3-2-4-6-16)27-21-17(22)14-26-28(20)21;1-26(2)18-9-8-14(11-22-18)12-23-19-10-17(15-6-4-3-5-7-15)25-20-16(21)13-24-27(19)20;1-21-17-8-7-13(10-22-17)11-23-18-9-16(14-5-3-2-4-6-14)25-19-15(20)12-24-26(18)19;19-13-10-24-26-17(23-9-11-5-6-16(21)22-8-11)7-15(25-18(13)26)12-3-1-2-4-14(12)20;18-12-9-24-26-15(21-6-10-7-22-17(20)23-8-10)5-14(25-16(12)26)11-3-1-2-4-13(11)19/h1-3,6-9,12-13,15,25H,4-5,10-11,14H2;2-8,11-12,14,25H,9-10,13H2,1H3,(H,23,24);3-11,13,23H,12H2,1-2H3;2-10,12,23H,11H2,1H3,(H,21,22);1-8,10,23H,9H2,(H2,21,22);1-5,7-9,21H,6H2,(H2,20,22,23).

What are the key properties of N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?

N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2579.26 g/mol, XLogP of 25.11, 31 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161244283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).