N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine

C158H146F6N36O7S8 — CID 160526684

About N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine

N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 160526684) has the molecular formula C158H146F6N36O7S8 and a molecular weight of 3031.67 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
• PubChem CID: 160526684
• Molecular Formula: C158H146F6N36O7S8
• Molecular Weight: 3031.67 g/mol
• Exact Mass: 3028.98
• IUPAC Name: N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
• SMILES: CN1CCN(Cc2ccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)cc2)CC1.CN1CCN(c2ccc(F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2ccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)cc2F)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1[nH]nc2nccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c12.FC1(F)CC1Nc1n[nH]c2nccc(-c3ccsc3)c12.Fc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12.Fc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12
• InChI: InChI=1S/C23H22N4O3S.C22H24N6S.C21H21FN6S.C21H20FN5S.2C20H17FN4OS.C18H15N3O2S.C13H10F2N4S/c1-30-20-7-3-2-6-19(20)22-21-18(12-13-24-23(21)26-25-22)16-8-10-17(11-9-16)31(28,29)27-14-4-5-15-27;1-27-9-11-28(12-10-27)14-16-2-4-18(5-3-16)24-22-20-19(17-7-13-29-15-17)6-8-23-21(20)25-26-22;1-27-7-9-28(10-8-27)18-3-2-15(12-17(18)22)24-21-19-16(14-5-11-29-13-14)4-6-23-20(19)25-26-21;1-26-7-9-27(10-8-26)15-2-3-18(22)17(12-15)20-19-16(14-5-11-28-13-14)4-6-23-21(19)25-24-20;2*21-17-2-1-14(25-6-8-26-9-7-25)11-16(17)19-18-15(13-4-10-27-12-13)3-5-22-20(18)24-23-19;1-22-12-3-4-14(15(9-12)23-2)17-16-13(11-6-8-24-10-11)5-7-19-18(16)21-20-17;14-13(15)5-9(13)17-12-10-8(7-2-4-20-6-7)1-3-16-11(10)18-19-12/h2-3,6-13H,4-5,14-15H2,1H3,(H,24,25,26);2-8,13,15H,9-12,14H2,1H3,(H2,23,24,25,26);2-6,11-13H,7-10H2,1H3,(H2,23,24,25,26);2-6,11-13H,7-10H2,1H3,(H,23,24,25);2*1-5,10-12H,6-9H2,(H,22,23,24);3-10H,1-2H3,(H,19,20,21);1-4,6,9H,5H2,(H2,16,17,18,19)
• InChIKey: QUZMASHCNAPHPA-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 478.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3031.67
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?

The IUPAC name of N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 160526684) is N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine.

What is the SMILES notation for N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?

The canonical SMILES for N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine is CN1CCN(Cc2ccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)cc2)CC1.CN1CCN(c2ccc(F)c(-c3[nH]nc4nccc(-c5ccsc5)c34)c2)CC1.CN1CCN(c2ccc(Nc3[nH]nc4nccc(-c5ccsc5)c34)cc2F)CC1.COc1ccc(-c2[nH]nc3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1[nH]nc2nccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c12.FC1(F)CC1Nc1n[nH]c2nccc(-c3ccsc3)c12.Fc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12.Fc1ccc(N2CCOCC2)cc1-c1[nH]nc2nccc(-c3ccsc3)c12.

What is the InChIKey of N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?

The InChIKey is QUZMASHCNAPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S.C22H24N6S.C21H21FN6S.C21H20FN5S.2C20H17FN4OS.C18H15N3O2S.C13H10F2N4S/c1-30-20-7-3-2-6-19(20)22-21-18(12-13-24-23(21)26-25-22)16-8-10-17(11-9-16)31(28,29)27-14-4-5-15-27;1-27-9-11-28(12-10-27)14-16-2-4-18(5-3-16)24-22-20-19(17-7-13-29-15-17)6-8-23-21(20)25-26-22;1-27-7-9-28(10-8-27)18-3-2-15(12-17(18)22)24-21-19-16(14-5-11-29-13-14)4-6-23-20(19)25-26-21;1-26-7-9-27(10-8-26)15-2-3-18(22)17(12-15)20-19-16(14-5-11-28-13-14)4-6-23-21(19)25-24-20;2*21-17-2-1-14(25-6-8-26-9-7-25)11-16(17)19-18-15(13-4-10-27-12-13)3-5-22-20(18)24-23-19;1-22-12-3-4-14(15(9-12)23-2)17-16-13(11-6-8-24-10-11)5-7-19-18(16)21-20-17;14-13(15)5-9(13)17-12-10-8(7-2-4-20-6-7)1-3-16-11(10)18-19-12/h2-3,6-13H,4-5,14-15H2,1H3,(H,24,25,26);2-8,13,15H,9-12,14H2,1H3,(H2,23,24,25,26);2-6,11-13H,7-10H2,1H3,(H2,23,24,25,26);2-6,11-13H,7-10H2,1H3,(H,23,24,25);2*1-5,10-12H,6-9H2,(H,22,23,24);3-10H,1-2H3,(H,19,20,21);1-4,6,9H,5H2,(H2,16,17,18,19).

What are the key properties of N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine?

N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 3031.67 g/mol, XLogP of 33.36, 30 rotatable bonds, 11 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2-difluorocyclopropyl)-4-thiophen-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine;3-[2-fluoro-5-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;bis(4-[4-fluoro-3-(4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)phenyl]morpholine);3-(2-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2H-pyrazolo[3,4-b]pyridine;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 160526684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).