4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide

C48H60N14O5 — CID 25065396

About 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide

4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide (PubChem CID 25065396) has the molecular formula C48H60N14O5 and a molecular weight of 913.10 g/mol. Its IUPAC name is 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide
• PubChem CID: 25065396
• Molecular Formula: C48H60N14O5
• Molecular Weight: 913.10 g/mol
• Exact Mass: 912.49
• IUPAC Name: 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide
• SMILES: CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(Oc2ccc(C(=O)NCc3c(CC)nc4c(cnn4CC)c3NC3CCN(C(N)=O)CC3)cc2)cc1
• InChI: InChI=1S/C48H60N14O5/c1-5-39-35(41(37-27-53-61(7-3)43(37)57-39)55-31-17-21-59(22-18-31)47(49)65)25-51-45(63)29-9-13-33(14-10-29)67-34-15-11-30(12-16-34)46(64)52-26-36-40(6-2)58-44-38(28-54-62(44)8-4)42(36)56-32-19-23-60(24-20-32)48(50)66/h9-16,27-28,31-32H,5-8,17-26H2,1-4H3,(H2,49,65)(H2,50,66)(H,51,63)(H,52,64)(H,55,57)(H,56,58)
• InChIKey: KTWJDVVQEHRXBG-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 245.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	913.10
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

The IUPAC name of 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide (CID 25065396) is 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide.

What is the SMILES notation for 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

The canonical SMILES for 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide is CCc1nc2c(cnn2CC)c(NC2CCN(C(N)=O)CC2)c1CNC(=O)c1ccc(Oc2ccc(C(=O)NCc3c(CC)nc4c(cnn4CC)c3NC3CCN(C(N)=O)CC3)cc2)cc1.

What is the InChIKey of 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

The InChIKey is KTWJDVVQEHRXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H60N14O5/c1-5-39-35(41(37-27-53-61(7-3)43(37)57-39)55-31-17-21-59(22-18-31)47(49)65)25-51-45(63)29-9-13-33(14-10-29)67-34-15-11-30(12-16-34)46(64)52-26-36-40(6-2)58-44-38(28-54-62(44)8-4)42(36)56-32-19-23-60(24-20-32)48(50)66/h9-16,27-28,31-32H,5-8,17-26H2,1-4H3,(H2,49,65)(H2,50,66)(H,51,63)(H,52,64)(H,55,57)(H,56,58).

What are the key properties of 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide?

4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide has a molecular weight of 913.10 g/mol, XLogP of 5.90, 16 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[[[4-[4-[[4-[(1-carbamoylpiperidin-4-yl)amino]-1,6-diethylpyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]phenoxy]benzoyl]amino]methyl]-1,6-diethylpyrazolo[3,4-b]pyridin-4-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 25065396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).