N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)

C144H179N35O4 — CID 159086842

About N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)

N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol) (PubChem CID 159086842) has the molecular formula C144H179N35O4 and a molecular weight of 2464.26 g/mol. Its IUPAC name is N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol).

Molecular Properties

• Compound Name: N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)
• PubChem CID: 159086842
• Molecular Formula: C144H179N35O4
• Molecular Weight: 2464.26 g/mol
• Exact Mass: 2462.49
• IUPAC Name: N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)
• SMILES: C(=C/C1CCC(Nc2ncnc3[nH]ncc23)CC1)\CCc1ccccc1.C(=C/C1CCC(Nc2ncnc3[nH]ncc23)CC1)\Cc1ccccc1.OC(CCc1ccccc1)CC1CCC(Nc2ncnc3[nH]ncc23)CC1.OC(CCc1ccccc1)CC1CCC(Nc2ncnc3[nH]ncc23)CC1.c1ccc(CCCCC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(CCOC2CCC(CNc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(CCOC2CCC(CNc3ncnc4[nH]ncc34)CC2)cc1
• InChI: InChI=1S/2C21H27N5O.C21H27N5.C21H25N5.2C20H25N5O.C20H23N5/c2*27-18(11-8-15-4-2-1-3-5-15)12-16-6-9-17(10-7-16)25-20-19-13-24-26-21(19)23-14-22-20;2*1-2-6-16(7-3-1)8-4-5-9-17-10-12-18(13-11-17)25-20-19-14-24-26-21(19)23-15-22-20;2*1-2-4-15(5-3-1)10-11-26-17-8-6-16(7-9-17)12-21-19-18-13-24-25-20(18)23-14-22-19;1-2-5-15(6-3-1)7-4-8-16-9-11-17(12-10-16)24-19-18-13-23-25-20(18)22-14-21-19/h2*1-5,13-14,16-18,27H,6-12H2,(H2,22,23,24,25,26);1-3,6-7,14-15,17-18H,4-5,8-13H2,(H2,22,23,24,25,26);1-3,5-7,9,14-15,17-18H,4,8,10-13H2,(H2,22,23,24,25,26);2*1-5,13-14,16-17H,6-12H2,(H2,21,22,23,24,25);1-6,8,13-14,16-17H,7,9-12H2,(H2,21,22,23,24,25)/b;;;9-5+;;;8-4+
• InChIKey: KBNSKOVAXOQKCC-WVVWSDEOSA-N
• XLogP: 27.95
• TPSA: 524.35 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 32
• Rotatable Bonds: 46
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2464.26
LogP ≤ 5	27.95
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)?

The IUPAC name of N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol) (CID 159086842) is N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol).

What is the SMILES notation for N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)?

The canonical SMILES for N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol) is C(=C/C1CCC(Nc2ncnc3[nH]ncc23)CC1)\CCc1ccccc1.C(=C/C1CCC(Nc2ncnc3[nH]ncc23)CC1)\Cc1ccccc1.OC(CCc1ccccc1)CC1CCC(Nc2ncnc3[nH]ncc23)CC1.OC(CCc1ccccc1)CC1CCC(Nc2ncnc3[nH]ncc23)CC1.c1ccc(CCCCC2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(CCOC2CCC(CNc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(CCOC2CCC(CNc3ncnc4[nH]ncc34)CC2)cc1.

What is the InChIKey of N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)?

The InChIKey is KBNSKOVAXOQKCC-WVVWSDEOSA-N. The full InChI is InChI=1S/2C21H27N5O.C21H27N5.C21H25N5.2C20H25N5O.C20H23N5/c2*27-18(11-8-15-4-2-1-3-5-15)12-16-6-9-17(10-7-16)25-20-19-13-24-26-21(19)23-14-22-20;2*1-2-6-16(7-3-1)8-4-5-9-17-10-12-18(13-11-17)25-20-19-14-24-26-21(19)23-15-22-20;2*1-2-4-15(5-3-1)10-11-26-17-8-6-16(7-9-17)12-21-19-18-13-24-25-20(18)23-14-22-19;1-2-5-15(6-3-1)7-4-8-16-9-11-17(12-10-16)24-19-18-13-23-25-20(18)22-14-21-19/h2*1-5,13-14,16-18,27H,6-12H2,(H2,22,23,24,25,26);1-3,6-7,14-15,17-18H,4-5,8-13H2,(H2,22,23,24,25,26);1-3,5-7,9,14-15,17-18H,4,8,10-13H2,(H2,22,23,24,25,26);2*1-5,13-14,16-17H,6-12H2,(H2,21,22,23,24,25);1-6,8,13-14,16-17H,7,9-12H2,(H2,21,22,23,24,25)/b;;;9-5+;;;8-4+.

What are the key properties of N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol)?

N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol) has a molecular weight of 2464.26 g/mol, XLogP of 27.95, 46 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(E)-4-phenylbut-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[4-(4-phenylbutyl)cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(N-[[4-(2-phenylethoxy)cyclohexyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine);N-[4-[(E)-3-phenylprop-1-enyl]cyclohexyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;bis(4-phenyl-1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)cyclohexyl]butan-2-ol) is sourced from PubChem (CID 159086842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).