N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C144H160F8N40O8 — CID 157094743

About N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 157094743) has the molecular formula C144H160F8N40O8 and a molecular weight of 2731.12 g/mol. Its IUPAC name is N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 157094743
• Molecular Formula: C144H160F8N40O8
• Molecular Weight: 2731.12 g/mol
• Exact Mass: 2729.32
• IUPAC Name: N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: FC(CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(CO[C@@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(CO[C@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(F)(CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(F)(CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.c1ccc(CCO[C@@H]2CC[C@@H](Nc3ncnc4[nH]ncc34)C2)cc1.c1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
• InChI: InChI=1S/2C18H19F2N5O.4C18H20FN5O.2C18H21N5O/c2*19-18(20,12-4-2-1-3-5-12)10-26-14-7-6-13(8-14)24-16-15-9-23-25-17(15)22-11-21-16;4*19-16(12-4-2-1-3-5-12)10-25-14-7-6-13(8-14)23-17-15-9-22-24-18(15)21-11-20-17;2*1-2-4-13(5-3-1)8-9-24-15-7-6-14(10-15)22-17-16-11-21-23-18(16)20-12-19-17/h2*1-5,9,11,13-14H,6-8,10H2,(H2,21,22,23,24,25);4*1-5,9,11,13-14,16H,6-8,10H2,(H2,20,21,22,23,24);2*1-5,11-12,14-15H,6-10H2,(H2,19,20,21,22,23)/t2*13-,14-;2*13-,14+,16?;2*13-,14-,16?;2*14-,15-/m10101010/s1
• InChIKey: AFBOAYVFHHGTML-APBYAERSSA-N
• XLogP: 26.53
• TPSA: 605.76 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2731.12
LogP ≤ 5	26.53
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 157094743) is N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is FC(CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(CO[C@@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(CO[C@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(F)(CO[C@@H]1CC[C@@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.FC(F)(CO[C@H]1CC[C@H](Nc2ncnc3[nH]ncc23)C1)c1ccccc1.c1ccc(CCO[C@@H]2CC[C@@H](Nc3ncnc4[nH]ncc34)C2)cc1.c1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.

What is the InChIKey of N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is AFBOAYVFHHGTML-APBYAERSSA-N. The full InChI is InChI=1S/2C18H19F2N5O.4C18H20FN5O.2C18H21N5O/c2*19-18(20,12-4-2-1-3-5-12)10-26-14-7-6-13(8-14)24-16-15-9-23-25-17(15)22-11-21-16;4*19-16(12-4-2-1-3-5-12)10-25-14-7-6-13(8-14)23-17-15-9-22-24-18(15)21-11-20-17;2*1-2-4-13(5-3-1)8-9-24-15-7-6-14(10-15)22-17-16-11-21-23-18(16)20-12-19-17/h2*1-5,9,11,13-14H,6-8,10H2,(H2,21,22,23,24,25);4*1-5,9,11,13-14,16H,6-8,10H2,(H2,20,21,22,23,24);2*1-5,11-12,14-15H,6-10H2,(H2,19,20,21,22,23)/t2*13-,14-;2*13-,14+,16?;2*13-,14-,16?;2*14-,15-/m10101010/s1.

What are the key properties of N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2731.12 g/mol, XLogP of 26.53, 48 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3S)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2,2-difluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3S)-3-(2-fluoro-2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R)-3-(2-phenylethoxy)cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157094743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).