7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane

C104H141F3N24O — CID 157460215

About 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane

7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane (PubChem CID 157460215) has the molecular formula C104H141F3N24O and a molecular weight of 1800.43 g/mol. Its IUPAC name is 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane.

Molecular Properties

• Compound Name: 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
• PubChem CID: 157460215
• Molecular Formula: C104H141F3N24O
• Molecular Weight: 1800.43 g/mol
• Exact Mass: 1799.17
• IUPAC Name: 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane
• SMILES: C.C.C.C.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCc3ccccn3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCc3ccccn3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCc3cncnc3)nc12.CC[C@H](CO)Nc1cc(NCc2ccccc2F)n2ncc(C(C)C)c2n1
• InChI: InChI=1S/C27H33FN6.C27H34N6.C26H32FN7.C20H26FN5O.4CH4/c1-20(2)23-19-32-34-26(31-18-21-11-6-7-14-24(21)28)17-25(33-27(23)34)30-16-9-4-3-5-12-22-13-8-10-15-29-22;1-21(2)24-20-31-33-26(30-19-22-12-6-5-7-13-22)18-25(32-27(24)33)29-17-10-4-3-8-14-23-15-9-11-16-28-23;1-19(2)22-17-32-34-25(31-16-21-10-6-7-11-23(21)27)13-24(33-26(22)34)30-12-8-4-3-5-9-20-14-28-18-29-15-20;1-4-15(12-27)24-18-9-19(22-10-14-7-5-6-8-17(14)21)26-20(25-18)16(11-23-26)13(2)3;;;;/h6-8,10-11,13-15,17,19-20,31H,3-5,9,12,16,18H2,1-2H3,(H,30,33);5-7,9,11-13,15-16,18,20-21,30H,3-4,8,10,14,17,19H2,1-2H3,(H,29,32);6-7,10-11,13-15,17-19,31H,3-5,8-9,12,16H2,1-2H3,(H,30,33);5-9,11,13,15,22,27H,4,10,12H2,1-3H3,(H,24,25);4*1H4/t;;;15-;;;;/m...1..../s1
• InChIKey: BTVHHPSPFVOELY-WFYMRIALSA-N
• XLogP: 24.23
• TPSA: 288.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 44
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.43
LogP ≤ 5	24.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?

The IUPAC name of 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane (CID 157460215) is 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane.

What is the SMILES notation for 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?

The canonical SMILES for 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane is C.C.C.C.CC(C)c1cnn2c(NCc3ccccc3)cc(NCCCCCCc3ccccn3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCc3ccccn3)nc12.CC(C)c1cnn2c(NCc3ccccc3F)cc(NCCCCCCc3cncnc3)nc12.CC[C@H](CO)Nc1cc(NCc2ccccc2F)n2ncc(C(C)C)c2n1.

What is the InChIKey of 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?

The InChIKey is BTVHHPSPFVOELY-WFYMRIALSA-N. The full InChI is InChI=1S/C27H33FN6.C27H34N6.C26H32FN7.C20H26FN5O.4CH4/c1-20(2)23-19-32-34-26(31-18-21-11-6-7-14-24(21)28)17-25(33-27(23)34)30-16-9-4-3-5-12-22-13-8-10-15-29-22;1-21(2)24-20-31-33-26(30-19-22-12-6-5-7-13-22)18-25(32-27(24)33)29-17-10-4-3-8-14-23-15-9-11-16-28-23;1-19(2)22-17-32-34-25(31-16-21-10-6-7-11-23(21)27)13-24(33-26(22)34)30-12-8-4-3-5-9-20-14-28-18-29-15-20;1-4-15(12-27)24-18-9-19(22-10-14-7-5-6-8-17(14)21)26-20(25-18)16(11-23-26)13(2)3;;;;/h6-8,10-11,13-15,17,19-20,31H,3-5,9,12,16,18H2,1-2H3,(H,30,33);5-7,9,11-13,15-16,18,20-21,30H,3-4,8,10,14,17,19H2,1-2H3,(H,29,32);6-7,10-11,13-15,17-19,31H,3-5,8-9,12,16H2,1-2H3,(H,30,33);5-9,11,13,15,22,27H,4,10,12H2,1-3H3,(H,24,25);4*1H4/t;;;15-;;;;/m...1..../s1.

What are the key properties of 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane?

7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane has a molecular weight of 1800.43 g/mol, XLogP of 24.23, 44 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-benzyl-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;(2R)-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyridin-2-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;7-N-[(2-fluorophenyl)methyl]-3-propan-2-yl-5-N-(6-pyrimidin-5-ylhexyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine;methane is sourced from PubChem (CID 157460215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).