6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride

C72H83Cl5F8N26O5 — CID 167559161

About 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride

6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (PubChem CID 167559161) has the molecular formula C72H83Cl5F8N26O5 and a molecular weight of 1721.88 g/mol. Its IUPAC name is 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
• PubChem CID: 167559161
• Molecular Formula: C72H83Cl5F8N26O5
• Molecular Weight: 1721.88 g/mol
• Exact Mass: 1718.54
• IUPAC Name: 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CC(F)(F)C4)c4c(C)nn(C5CCC5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(Cl)c12.Cc1[nH]nc2nc(Cl)nc(N3CC(F)(F)C3)c12.Cc1nn(C2CCC2)c2nc(Cl)nc(N3CC(F)(F)C3)c12.Cl.FC1(F)CNC1.OC1CCC1
• InChI: InChI=1S/C25H28F2N8O.C13H14ClF2N5.C12H15N3O3.C9H8ClF2N5.C6H4Cl2N4.C4H8O.C3H5F2N.ClH/c1-14-8-18(9-19(36-4)15(14)2)33-10-20(28-13-33)29-24-30-22(34-11-25(26,27)12-34)21-16(3)32-35(23(21)31-24)17-6-5-7-17;1-7-9-10(20-5-13(15,16)6-20)17-12(14)18-11(9)21(19-7)8-3-2-4-8;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-4-5-6(16-15-4)13-8(10)14-7(5)17-2-9(11,12)3-17;1-2-3-4(7)9-6(8)10-5(3)12-11-2;5-4-2-1-3-4;4-3(5)1-6-2-3;/h8-10,13,17H,5-7,11-12H2,1-4H3,(H,29,30,31);8H,2-6H2,1H3;4-7H,13H2,1-3H3;2-3H2,1H3,(H,13,14,15,16);1H3,(H,9,10,11,12);4-5H,1-3H2;6H,1-2H2;1H
• InChIKey: YHGMYHMLJUNOCN-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 348.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 13
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1721.88
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The IUPAC name of 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride (CID 167559161) is 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride.

What is the SMILES notation for 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The canonical SMILES for 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CC(F)(F)C4)c4c(C)nn(C5CCC5)c4n3)c2)cc(C)c1C.Cc1[nH]nc2nc(Cl)nc(Cl)c12.Cc1[nH]nc2nc(Cl)nc(N3CC(F)(F)C3)c12.Cc1nn(C2CCC2)c2nc(Cl)nc(N3CC(F)(F)C3)c12.Cl.FC1(F)CNC1.OC1CCC1.

What is the InChIKey of 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

The InChIKey is YHGMYHMLJUNOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N8O.C13H14ClF2N5.C12H15N3O3.C9H8ClF2N5.C6H4Cl2N4.C4H8O.C3H5F2N.ClH/c1-14-8-18(9-19(36-4)15(14)2)33-10-20(28-13-33)29-24-30-22(34-11-25(26,27)12-34)21-16(3)32-35(23(21)31-24)17-6-5-7-17;1-7-9-10(20-5-13(15,16)6-20)17-12(14)18-11(9)21(19-7)8-3-2-4-8;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-4-5-6(16-15-4)13-8(10)14-7(5)17-2-9(11,12)3-17;1-2-3-4(7)9-6(8)10-5(3)12-11-2;5-4-2-1-3-4;4-3(5)1-6-2-3;/h8-10,13,17H,5-7,11-12H2,1-4H3,(H,29,30,31);8H,2-6H2,1H3;4-7H,13H2,1-3H3;2-3H2,1H3,(H,13,14,15,16);1H3,(H,9,10,11,12);4-5H,1-3H2;6H,1-2H2;1H.

What are the key properties of 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride?

6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride has a molecular weight of 1721.88 g/mol, XLogP of 14.23, 13 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-3-methylpyrazolo[5,4-d]pyrimidine;6-chloro-4-(3,3-difluoroazetidin-1-yl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;cyclobutanol;1-cyclobutyl-4-(3,3-difluoroazetidin-1-yl)-N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-3-methylpyrazolo[5,4-d]pyrimidin-6-amine;4,6-dichloro-3-methyl-2H-pyrazolo[3,4-d]pyrimidine;3,3-difluoroazetidine;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine;hydrochloride is sourced from PubChem (CID 167559161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).