N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol

C130H155F7N42O5 — CID 160711298

About N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol

N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol (PubChem CID 160711298) has the molecular formula C130H155F7N42O5 and a molecular weight of 2518.94 g/mol. Its IUPAC name is N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol
• PubChem CID: 160711298
• Molecular Formula: C130H155F7N42O5
• Molecular Weight: 2518.94 g/mol
• Exact Mass: 2517.31
• IUPAC Name: N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol
• SMILES: FC(F)(Cc1ccccc1)CN1CCC(Nc2ncnc3[nH]ncc23)C1.FC(F)(F)c1ccc(C(F)(F)CN2CCCC(Nc3ncnc4[nH]ncc34)CC2)cc1.OC(Cc1ccccc1)CN1CCC(Nc2ncnc3[nH]ncc23)C1.c1ccc(CCOCCN2CCC(Nc3ncnc4[nH]ncc34)C2)cc1.c1ccc(COCCN2CCC(Nc3ncnc4[nH]ncc34)C2)cc1.c1ccc(COCCN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(OCCN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1
• InChI: InChI=1S/C20H21F5N6.2C19H24N6O.C18H20F2N6.3C18H22N6O/c21-19(22,13-3-5-14(6-4-13)20(23,24)25)11-31-8-1-2-15(7-9-31)29-17-16-10-28-30-18(16)27-12-26-17;1-2-4-15(5-3-1)7-10-26-11-9-25-8-6-16(13-25)23-18-17-12-22-24-19(17)21-14-20-18;1-2-4-15(5-3-1)13-26-11-10-25-8-6-16(7-9-25)23-18-17-12-22-24-19(17)21-14-20-18;19-18(20,8-13-4-2-1-3-5-13)11-26-7-6-14(10-26)24-16-15-9-23-25-17(15)22-12-21-16;1-2-4-15(5-3-1)25-11-10-24-8-6-14(7-9-24)22-17-16-12-21-23-18(16)20-13-19-17;25-15(8-13-4-2-1-3-5-13)11-24-7-6-14(10-24)22-17-16-9-21-23-18(16)20-12-19-17;1-2-4-14(5-3-1)12-25-9-8-24-7-6-15(11-24)22-17-16-10-21-23-18(16)20-13-19-17/h3-6,10,12,15H,1-2,7-9,11H2,(H2,26,27,28,29,30);2*1-5,12,14,16H,6-11,13H2,(H2,20,21,22,23,24);1-5,9,12,14H,6-8,10-11H2,(H2,21,22,23,24,25);1-5,12-14H,6-11H2,(H2,19,20,21,22,23);1-5,9,12,14-15,25H,6-8,10-11H2,(H2,19,20,21,22,23);1-5,10,13,15H,6-9,11-12H2,(H2,19,20,21,22,23)
• InChIKey: RRWWZFFXZKVDFZ-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 545.26 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 45
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2518.94
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol?

The IUPAC name of N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol (CID 160711298) is N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol.

What is the SMILES notation for N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol?

The canonical SMILES for N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol is FC(F)(Cc1ccccc1)CN1CCC(Nc2ncnc3[nH]ncc23)C1.FC(F)(F)c1ccc(C(F)(F)CN2CCCC(Nc3ncnc4[nH]ncc34)CC2)cc1.OC(Cc1ccccc1)CN1CCC(Nc2ncnc3[nH]ncc23)C1.c1ccc(CCOCCN2CCC(Nc3ncnc4[nH]ncc34)C2)cc1.c1ccc(COCCN2CCC(Nc3ncnc4[nH]ncc34)C2)cc1.c1ccc(COCCN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.c1ccc(OCCN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.

What is the InChIKey of N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol?

The InChIKey is RRWWZFFXZKVDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F5N6.2C19H24N6O.C18H20F2N6.3C18H22N6O/c21-19(22,13-3-5-14(6-4-13)20(23,24)25)11-31-8-1-2-15(7-9-31)29-17-16-10-28-30-18(16)27-12-26-17;1-2-4-15(5-3-1)7-10-26-11-9-25-8-6-16(13-25)23-18-17-12-22-24-19(17)21-14-20-18;1-2-4-15(5-3-1)13-26-11-10-25-8-6-16(7-9-25)23-18-17-12-22-24-19(17)21-14-20-18;19-18(20,8-13-4-2-1-3-5-13)11-26-7-6-14(10-26)24-16-15-9-23-25-17(15)22-12-21-16;1-2-4-15(5-3-1)25-11-10-24-8-6-14(7-9-24)22-17-16-12-21-23-18(16)20-13-19-17;25-15(8-13-4-2-1-3-5-13)11-24-7-6-14(10-24)22-17-16-9-21-23-18(16)20-12-19-17;1-2-4-14(5-3-1)12-25-9-8-24-7-6-15(11-24)22-17-16-10-21-23-18(16)20-13-19-17/h3-6,10,12,15H,1-2,7-9,11H2,(H2,26,27,28,29,30);2*1-5,12,14,16H,6-11,13H2,(H2,20,21,22,23,24);1-5,9,12,14H,6-8,10-11H2,(H2,21,22,23,24,25);1-5,12-14H,6-11H2,(H2,19,20,21,22,23);1-5,9,12,14-15,25H,6-8,10-11H2,(H2,19,20,21,22,23);1-5,10,13,15H,6-9,11-12H2,(H2,19,20,21,22,23).

What are the key properties of N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol?

N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 2518.94 g/mol, XLogP of 17.50, 45 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,2-difluoro-3-phenylpropyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2,2-difluoro-2-[4-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-[2-(2-phenylethoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[1-(2-phenylmethoxyethyl)pyrrolidin-3-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;1-phenyl-3-[3-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 160711298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).