1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol

C46H60N10O6 — CID 130279310

IUPAC1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3cnn(C(C)CC4CC(Nc5cc(-c6cccc(OCC(O)CN)c6)nc6c5cnn6C(C)C)CCO4)c3n2)c1
InChIInChI=1S/C46H60N10O6/c1-29(2)55-45-39(25-49-55)43(21-41(52-45)31-7-5-9-36(18-31)61-27-34(57)23-47)51-33-11-14-60-38(20-33)17-30(3)56-46-40(26-50-56)44(54-12-15-59-16-13-54)22-42(53-46)32-8-6-10-37(19-32)62-28-35(58)24-48-4/h5-10,18-19,21-22,25-26,29-30,33-35,38,48,57-58H,11-17,20,23-24,27-28,47H2,1-4H3,(H,51,52)
InChIKeyHCUDALNNIWNCFU-UHFFFAOYSA-N
MW849.05 g/mol
LogP5.20
Rot. Bonds18

About 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol

1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol (PubChem CID 130279310) has the molecular formula C46H60N10O6 and a molecular weight of 849.05 g/mol. Its IUPAC name is 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
PubChem CID130279310
Molecular FormulaC46H60N10O6
Molecular Weight849.05 g/mol
Exact Mass848.47
IUPAC Name1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol
SMILESCNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3cnn(C(C)CC4CC(Nc5cc(-c6cccc(OCC(O)CN)c6)nc6c5cnn6C(C)C)CCO4)c3n2)c1
InChIInChI=1S/C46H60N10O6/c1-29(2)55-45-39(25-49-55)43(21-41(52-45)31-7-5-9-36(18-31)61-27-34(57)23-47)51-33-11-14-60-38(20-33)17-30(3)56-46-40(26-50-56)44(54-12-15-59-16-13-54)22-42(53-46)32-8-6-10-37(19-32)62-28-35(58)24-48-4/h5-10,18-19,21-22,25-26,29-30,33-35,38,48,57-58H,11-17,20,23-24,27-28,47H2,1-4H3,(H,51,52)
InChIKeyHCUDALNNIWNCFU-UHFFFAOYSA-N
XLogP5.20
TPSA192.12 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500849.05
LogP ≤ 55.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
The IUPAC name of 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol (CID 130279310) is 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
The canonical SMILES for 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol is CNCC(O)COc1cccc(-c2cc(N3CCOCC3)c3cnn(C(C)CC4CC(Nc5cc(-c6cccc(OCC(O)CN)c6)nc6c5cnn6C(C)C)CCO4)c3n2)c1.
What is the InChIKey of 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
The InChIKey is HCUDALNNIWNCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H60N10O6/c1-29(2)55-45-39(25-49-55)43(21-41(52-45)31-7-5-9-36(18-31)61-27-34(57)23-47)51-33-11-14-60-38(20-33)17-30(3)56-46-40(26-50-56)44(54-12-15-59-16-13-54)22-42(53-46)32-8-6-10-37(19-32)62-28-35(58)24-48-4/h5-10,18-19,21-22,25-26,29-30,33-35,38,48,57-58H,11-17,20,23-24,27-28,47H2,1-4H3,(H,51,52).
What are the key properties of 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol?
1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol has a molecular weight of 849.05 g/mol, XLogP of 5.20, 18 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-[4-[[2-[2-[6-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-4-morpholin-4-ylpyrazolo[5,4-b]pyridin-1-yl]propyl]oxan-4-yl]amino]-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 130279310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).