N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

C106H117N35O5 — CID 159474697

About N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159474697) has the molecular formula C106H117N35O5 and a molecular weight of 1961.34 g/mol. Its IUPAC name is N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159474697
• Molecular Formula: C106H117N35O5
• Molecular Weight: 1961.34 g/mol
• Exact Mass: 1960.00
• IUPAC Name: N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CN1CCN(C2CCC(n3nc(-c4ccc(-c5cnco5)cc4)c4c(N)ncnc43)CC2)CC1.CN1CCN(C2CCC(n3nc(-c4ccc(-n5cnc6ccccc65)cc4)c4c(N)ncnc43)CC2)CC1.COc1cc(-c2nn(C3CCNCC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cccnc2n1C.COc1cc(-c2nn(C3CCNCC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccncc2n1C
• InChI: InChI=1S/C29H33N9.2C26H27N9O2.C25H30N8O/c1-35-14-16-36(17-15-35)21-10-12-23(13-11-21)38-29-26(28(30)31-18-32-29)27(34-38)20-6-8-22(9-7-20)37-19-33-24-4-2-3-5-25(24)37;1-34-19(11-15-5-8-29-13-20(15)34)26(36)32-18-4-3-16(12-21(18)37-2)23-22-24(27)30-14-31-25(22)35(33-23)17-6-9-28-10-7-17;1-34-19(12-16-4-3-9-29-24(16)34)26(36)32-18-6-5-15(13-20(18)37-2)22-21-23(27)30-14-31-25(21)35(33-22)17-7-10-28-11-8-17;1-31-10-12-32(13-11-31)19-6-8-20(9-7-19)33-25-22(24(26)28-15-29-25)23(30-33)18-4-2-17(3-5-18)21-14-27-16-34-21/h2-9,18-19,21,23H,10-17H2,1H3,(H2,30,31,32);3-5,8,11-14,17,28H,6-7,9-10H2,1-2H3,(H,32,36)(H2,27,30,31);3-6,9,12-14,17,28H,7-8,10-11H2,1-2H3,(H,32,36)(H2,27,30,31);2-5,14-16,19-20H,6-13H2,1H3,(H2,26,28,29)
• InChIKey: LWFRSHMLTMZCDC-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 471.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.34
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 159474697) is N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is CN1CCN(C2CCC(n3nc(-c4ccc(-c5cnco5)cc4)c4c(N)ncnc43)CC2)CC1.CN1CCN(C2CCC(n3nc(-c4ccc(-n5cnc6ccccc65)cc4)c4c(N)ncnc43)CC2)CC1.COc1cc(-c2nn(C3CCNCC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2cccnc2n1C.COc1cc(-c2nn(C3CCNCC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccncc2n1C.

What is the InChIKey of N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is LWFRSHMLTMZCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N9.2C26H27N9O2.C25H30N8O/c1-35-14-16-36(17-15-35)21-10-12-23(13-11-21)38-29-26(28(30)31-18-32-29)27(34-38)20-6-8-22(9-7-20)37-19-33-24-4-2-3-5-25(24)37;1-34-19(11-15-5-8-29-13-20(15)34)26(36)32-18-4-3-16(12-21(18)37-2)23-22-24(27)30-14-31-25(22)35(33-23)17-6-9-28-10-7-17;1-34-19(12-16-4-3-9-29-24(16)34)26(36)32-18-6-5-15(13-20(18)37-2)22-21-23(27)30-14-31-25(21)35(33-22)17-7-10-28-11-8-17;1-31-10-12-32(13-11-31)19-6-8-20(9-7-19)33-25-22(24(26)28-15-29-25)23(30-33)18-4-2-17(3-5-18)21-14-27-16-34-21/h2-9,18-19,21,23H,10-17H2,1H3,(H2,30,31,32);3-5,8,11-14,17,28H,6-7,9-10H2,1-2H3,(H,32,36)(H2,27,30,31);3-6,9,12-14,17,28H,7-8,10-11H2,1-2H3,(H,32,36)(H2,27,30,31);2-5,14-16,19-20H,6-13H2,1H3,(H2,26,28,29).

What are the key properties of N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine?

N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1961.34 g/mol, XLogP of 13.90, 18 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-b]pyridine-2-carboxamide;N-[4-(4-amino-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide;3-[4-(benzimidazol-1-yl)phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-[4-(1,3-oxazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159474697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).