N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C129H149F11N42O — CID 157097765

IUPACN-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.Cc1ccc(CCN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@@H](F)C2)cc1.Cc1ccc(CCN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@H](F)C2)cc1.FC(CN1CC[C@@H](Nc2ncnc3[nH]ncc23)[C@H](F)C1)c1ccccc1.F[C@@H]1CN(CC(F)(F)c2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@@H]1CN(CCc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CCc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C19H22F2N6O.2C19H23FN6.C18H19F3N6.C18H20F2N6.2C18H21FN6/c1-28-15-4-2-13(3-5-15)19(20,21)11-27-8-6-14(7-9-27)25-17-16-10-24-26-18(16)23-12-22-17;2*1-13-2-4-14(5-3-13)6-8-26-9-7-17(16(20)11-26)24-18-15-10-23-25-19(15)22-12-21-18;19-14-9-27(10-18(20,21)12-4-2-1-3-5-12)7-6-15(14)25-16-13-8-24-26-17(13)23-11-22-16;19-14(12-4-2-1-3-5-12)9-26-7-6-16(15(20)10-26)24-17-13-8-23-25-18(13)22-11-21-17;2*19-15-11-25(8-6-13-4-2-1-3-5-13)9-7-16(15)23-17-14-10-22-24-18(14)21-12-20-17/h2-5,10,12,14H,6-9,11H2,1H3,(H2,22,23,24,25,26);2*2-5,10,12,16-17H,6-9,11H2,1H3,(H2,21,22,23,24,25);1-5,8,11,14-15H,6-7,9-10H2,(H2,22,23,24,25,26);1-5,8,11,14-16H,6-7,9-10H2,(H2,21,22,23,24,25);2*1-5,10,12,15-16H,6-9,11H2,(H2,20,21,22,23,24)/t;16-,17+;16-,17-;14-,15-;14?,15-,16-;15-,16+;15-,16-/m.011101/s1
InChIKeyAFKFQGGGOZFCCL-QBYGCYIESA-N
MW2512.88 g/mol
LogP19.18
Rot. Bonds36

About N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 157097765) has the molecular formula C129H149F11N42O and a molecular weight of 2512.88 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID157097765
Molecular FormulaC129H149F11N42O
Molecular Weight2512.88 g/mol
Exact Mass2511.27
IUPAC NameN-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.Cc1ccc(CCN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@@H](F)C2)cc1.Cc1ccc(CCN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@H](F)C2)cc1.FC(CN1CC[C@@H](Nc2ncnc3[nH]ncc23)[C@H](F)C1)c1ccccc1.F[C@@H]1CN(CC(F)(F)c2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@@H]1CN(CCc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CCc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12
InChIInChI=1S/C19H22F2N6O.2C19H23FN6.C18H19F3N6.C18H20F2N6.2C18H21FN6/c1-28-15-4-2-13(3-5-15)19(20,21)11-27-8-6-14(7-9-27)25-17-16-10-24-26-18(16)23-12-22-17;2*1-13-2-4-14(5-3-13)6-8-26-9-7-17(16(20)11-26)24-18-15-10-23-25-19(15)22-12-21-18;19-14-9-27(10-18(20,21)12-4-2-1-3-5-12)7-6-15(14)25-16-13-8-24-26-17(13)23-11-22-16;19-14(12-4-2-1-3-5-12)9-26-7-6-16(15(20)10-26)24-17-13-8-23-25-18(13)22-11-21-17;2*19-15-11-25(8-6-13-4-2-1-3-5-13)9-7-16(15)23-17-14-10-22-24-18(14)21-12-20-17/h2-5,10,12,14H,6-9,11H2,1H3,(H2,22,23,24,25,26);2*2-5,10,12,16-17H,6-9,11H2,1H3,(H2,21,22,23,24,25);1-5,8,11,14-15H,6-7,9-10H2,(H2,22,23,24,25,26);1-5,8,11,14-16H,6-7,9-10H2,(H2,21,22,23,24,25);2*1-5,10,12,15-16H,6-9,11H2,(H2,20,21,22,23,24)/t;16-,17+;16-,17-;14-,15-;14?,15-,16-;15-,16+;15-,16-/m.011101/s1
InChIKeyAFKFQGGGOZFCCL-QBYGCYIESA-N
XLogP19.18
TPSA497.34 Ų
H-Bond Donors14
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002512.88
LogP ≤ 519.18
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1036

Analyze N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[3,3-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 122445187
N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11959517
N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445181
N-[(4R)-1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445182
N-[3,3-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;hydrochloride
CID 122445186
N-[(4R)-3,3-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;hydrochloride
CID 122445188
N-[(4R)-3,3-difluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 122445189
N-[(4R)-1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;hydrochloride
CID 122445263
N-[1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3,3-difluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;hydrochloride
CID 122445264
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 157520808
2-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;bis(2-[(3-methylphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine);2-(pyridin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 158082685

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 157097765) is N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1.Cc1ccc(CCN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@@H](F)C2)cc1.Cc1ccc(CCN2CC[C@@H](Nc3ncnc4[nH]ncc34)[C@H](F)C2)cc1.FC(CN1CC[C@@H](Nc2ncnc3[nH]ncc23)[C@H](F)C1)c1ccccc1.F[C@@H]1CN(CC(F)(F)c2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@@H]1CN(CCc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.F[C@H]1CN(CCc2ccccc2)CC[C@H]1Nc1ncnc2[nH]ncc12.
What is the InChIKey of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is AFKFQGGGOZFCCL-QBYGCYIESA-N. The full InChI is InChI=1S/C19H22F2N6O.2C19H23FN6.C18H19F3N6.C18H20F2N6.2C18H21FN6/c1-28-15-4-2-13(3-5-15)19(20,21)11-27-8-6-14(7-9-27)25-17-16-10-24-26-18(16)23-12-22-17;2*1-13-2-4-14(5-3-13)6-8-26-9-7-17(16(20)11-26)24-18-15-10-23-25-19(15)22-12-21-18;19-14-9-27(10-18(20,21)12-4-2-1-3-5-12)7-6-15(14)25-16-13-8-24-26-17(13)23-11-22-16;19-14(12-4-2-1-3-5-12)9-26-7-6-16(15(20)10-26)24-17-13-8-23-25-18(13)22-11-21-17;2*19-15-11-25(8-6-13-4-2-1-3-5-13)9-7-16(15)23-17-14-10-22-24-18(14)21-12-20-17/h2-5,10,12,14H,6-9,11H2,1H3,(H2,22,23,24,25,26);2*2-5,10,12,16-17H,6-9,11H2,1H3,(H2,21,22,23,24,25);1-5,8,11,14-15H,6-7,9-10H2,(H2,22,23,24,25,26);1-5,8,11,14-16H,6-7,9-10H2,(H2,21,22,23,24,25);2*1-5,10,12,15-16H,6-9,11H2,(H2,20,21,22,23,24)/t;16-,17+;16-,17-;14-,15-;14?,15-,16-;15-,16+;15-,16-/m.011101/s1.
What are the key properties of N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 2512.88 g/mol, XLogP of 19.18, 36 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-1-(2,2-difluoro-2-phenylethyl)-3-fluoropiperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-fluoro-2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3S,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine;N-[(3R,4R)-3-fluoro-1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157097765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).