4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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

C116H108ClF3N28O6S6 — CID 157096452

About 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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

4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 157096452) has the molecular formula C116H108ClF3N28O6S6 and a molecular weight of 2275.18 g/mol. Its IUPAC name is 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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: 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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: 157096452
• Molecular Formula: C116H108ClF3N28O6S6
• Molecular Weight: 2275.18 g/mol
• Exact Mass: 2272.70
• IUPAC Name: 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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(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.Clc1ccc(-c2ccnc3n[nH]c(-c4cccnc4N4CCOCC4)c23)s1.FC1(F)CC1Nc1n[nH]c2nccc(-c3ccsc3)c12
• InChI: InChI=1S/C23H22N4O3S.C22H24N6S.C21H21FN6S.C19H16ClN5OS.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;20-15-4-3-14(27-15)12-5-7-21-18-16(12)17(23-24-18)13-2-1-6-22-19(13)25-8-10-26-11-9-25;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);1-7H,8-11H2,(H,21,23,24);3-10H,1-2H3,(H,19,20,21);1-4,6,9H,5H2,(H2,16,17,18,19)
• InChIKey: AFGNSPBIBUHSAE-UHFFFAOYSA-N
• XLogP: 24.70
• TPSA: 388.90 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2275.18
LogP ≤ 5	24.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 157096452) is 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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(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.Clc1ccc(-c2ccnc3n[nH]c(-c4cccnc4N4CCOCC4)c23)s1.FC1(F)CC1Nc1n[nH]c2nccc(-c3ccsc3)c12.

What is the InChIKey of 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 AFGNSPBIBUHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S.C22H24N6S.C21H21FN6S.C19H16ClN5OS.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;20-15-4-3-14(27-15)12-5-7-21-18-16(12)17(23-24-18)13-2-1-6-22-19(13)25-8-10-26-11-9-25;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);1-7H,8-11H2,(H,21,23,24);3-10H,1-2H3,(H,19,20,21);1-4,6,9H,5H2,(H2,16,17,18,19).

What are the key properties of 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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?

4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 2275.18 g/mol, XLogP of 24.70, 24 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;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-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 157096452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).