N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C132H147ClF11N35O7 — CID 158096879

IUPACN-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(F)(F)CO[C@@H]2C[C@@H](Nc3ncnc4[nH]ncc34)C[C@H]2F)cc1.Cc1ccc(C(F)(F)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c(F)c1F.Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1F.Cc1cccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c1.Clc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.FC(F)(F)c1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/2C19H20F3N5O.2C19H21F2N5O.C19H22FN5O.C19H23N5O.C18H20ClN5O/c1-11-2-4-12(5-3-11)19(21,22)9-28-16-7-13(6-15(16)20)26-17-14-8-25-27-18(14)24-10-23-17;20-19(21,22)13-3-1-12(2-4-13)7-8-28-15-6-5-14(9-15)26-17-16-10-25-27-18(16)24-11-23-17;1-12-2-4-13(5-3-12)19(20,21)10-27-15-7-6-14(8-15)25-17-16-9-24-26-18(16)23-11-22-17;1-11-2-3-12(17(21)16(11)20)6-7-27-14-5-4-13(8-14)25-18-15-9-24-26-19(15)23-10-22-18;1-12-2-3-13(8-17(12)20)6-7-26-15-5-4-14(9-15)24-18-16-10-23-25-19(16)22-11-21-18;1-13-3-2-4-14(9-13)7-8-25-16-6-5-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18;19-13-3-1-12(2-4-13)7-8-25-15-6-5-14(9-15)23-17-16-10-22-24-18(16)21-11-20-17/h2-5,8,10,13,15-16H,6-7,9H2,1H3,(H2,23,24,25,26,27);1-4,10-11,14-15H,5-9H2,(H2,23,24,25,26,27);2-5,9,11,14-15H,6-8,10H2,1H3,(H2,22,23,24,25,26);2-3,9-10,13-14H,4-8H2,1H3,(H2,22,23,24,25,26);2-3,8,10-11,14-15H,4-7,9H2,1H3,(H2,21,22,23,24,25);2-4,9,11-12,15-16H,5-8,10H2,1H3,(H2,20,21,22,23,24);1-4,10-11,14-15H,5-9H2,(H2,20,21,22,23,24)/t13-,15+,16+;2*14-,15-;13-,14-;14-,15-;15-,16-;14-,15-/m0000000/s1
InChIKeyFOTURWOCXMRDNB-HBAZDOBVSA-N
MW2580.30 g/mol
LogP25.29
Rot. Bonds42

About N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158096879) has the molecular formula C132H147ClF11N35O7 and a molecular weight of 2580.30 g/mol. Its IUPAC name is N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID158096879
Molecular FormulaC132H147ClF11N35O7
Molecular Weight2580.30 g/mol
Exact Mass2578.17
IUPAC NameN-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCc1ccc(C(F)(F)CO[C@@H]2C[C@@H](Nc3ncnc4[nH]ncc34)C[C@H]2F)cc1.Cc1ccc(C(F)(F)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c(F)c1F.Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1F.Cc1cccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c1.Clc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.FC(F)(F)c1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1
InChIInChI=1S/2C19H20F3N5O.2C19H21F2N5O.C19H22FN5O.C19H23N5O.C18H20ClN5O/c1-11-2-4-12(5-3-11)19(21,22)9-28-16-7-13(6-15(16)20)26-17-14-8-25-27-18(14)24-10-23-17;20-19(21,22)13-3-1-12(2-4-13)7-8-28-15-6-5-14(9-15)26-17-16-10-25-27-18(16)24-11-23-17;1-12-2-4-13(5-3-12)19(20,21)10-27-15-7-6-14(8-15)25-17-16-9-24-26-18(16)23-11-22-17;1-11-2-3-12(17(21)16(11)20)6-7-27-14-5-4-13(8-14)25-18-15-9-24-26-19(15)23-10-22-18;1-12-2-3-13(8-17(12)20)6-7-26-15-5-4-14(9-15)24-18-16-10-23-25-19(16)22-11-21-18;1-13-3-2-4-14(9-13)7-8-25-16-6-5-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18;19-13-3-1-12(2-4-13)7-8-25-15-6-5-14(9-15)23-17-16-10-22-24-18(16)21-11-20-17/h2-5,8,10,13,15-16H,6-7,9H2,1H3,(H2,23,24,25,26,27);1-4,10-11,14-15H,5-9H2,(H2,23,24,25,26,27);2-5,9,11,14-15H,6-8,10H2,1H3,(H2,22,23,24,25,26);2-3,9-10,13-14H,4-8H2,1H3,(H2,22,23,24,25,26);2-3,8,10-11,14-15H,4-7,9H2,1H3,(H2,21,22,23,24,25);2-4,9,11-12,15-16H,5-8,10H2,1H3,(H2,20,21,22,23,24);1-4,10-11,14-15H,5-9H2,(H2,20,21,22,23,24)/t13-,15+,16+;2*14-,15-;13-,14-;14-,15-;15-,16-;14-,15-/m0000000/s1
InChIKeyFOTURWOCXMRDNB-HBAZDOBVSA-N
XLogP25.29
TPSA530.04 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds42
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002580.30
LogP ≤ 525.29
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Analyze N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158096879) is N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is Cc1ccc(C(F)(F)CO[C@@H]2C[C@@H](Nc3ncnc4[nH]ncc34)C[C@H]2F)cc1.Cc1ccc(C(F)(F)CO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c(F)c1F.Cc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1F.Cc1cccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)c1.Clc1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.FC(F)(F)c1ccc(CCO[C@H]2CC[C@H](Nc3ncnc4[nH]ncc34)C2)cc1.
What is the InChIKey of N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is FOTURWOCXMRDNB-HBAZDOBVSA-N. The full InChI is InChI=1S/2C19H20F3N5O.2C19H21F2N5O.C19H22FN5O.C19H23N5O.C18H20ClN5O/c1-11-2-4-12(5-3-11)19(21,22)9-28-16-7-13(6-15(16)20)26-17-14-8-25-27-18(14)24-10-23-17;20-19(21,22)13-3-1-12(2-4-13)7-8-28-15-6-5-14(9-15)26-17-16-10-25-27-18(16)24-11-23-17;1-12-2-4-13(5-3-12)19(20,21)10-27-15-7-6-14(8-15)25-17-16-9-24-26-18(16)23-11-22-17;1-11-2-3-12(17(21)16(11)20)6-7-27-14-5-4-13(8-14)25-18-15-9-24-26-19(15)23-10-22-18;1-12-2-3-13(8-17(12)20)6-7-26-15-5-4-14(9-15)24-18-16-10-23-25-19(16)22-11-21-18;1-13-3-2-4-14(9-13)7-8-25-16-6-5-15(10-16)23-18-17-11-22-24-19(17)21-12-20-18;19-13-3-1-12(2-4-13)7-8-25-15-6-5-14(9-15)23-17-16-10-22-24-18(16)21-11-20-17/h2-5,8,10,13,15-16H,6-7,9H2,1H3,(H2,23,24,25,26,27);1-4,10-11,14-15H,5-9H2,(H2,23,24,25,26,27);2-5,9,11,14-15H,6-8,10H2,1H3,(H2,22,23,24,25,26);2-3,9-10,13-14H,4-8H2,1H3,(H2,22,23,24,25,26);2-3,8,10-11,14-15H,4-7,9H2,1H3,(H2,21,22,23,24,25);2-4,9,11-12,15-16H,5-8,10H2,1H3,(H2,20,21,22,23,24);1-4,10-11,14-15H,5-9H2,(H2,20,21,22,23,24)/t13-,15+,16+;2*14-,15-;13-,14-;14-,15-;15-,16-;14-,15-/m0000000/s1.
What are the key properties of N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2580.30 g/mol, XLogP of 25.29, 42 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[2-(4-chlorophenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(2,3-difluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1R,3R,4R)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]-4-fluorocyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-fluoro-4-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-(3-methylphenyl)ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(1S,3S)-3-[2-[4-(trifluoromethyl)phenyl]ethoxy]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158096879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).