N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C43H33N13O2 — CID 137245156

IUPACN-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2c[nH]c(-c3n[nH]c4ncnc(Nc5cc(-c6ccccc6)ccc5OC)c34)c2)c(-c2ccccc2)cc1Nc1ncnc2[nH]nc(-c3cn[nH]c3)c12
InChIInChI=1S/C43H33N13O2/c1-57-34-14-13-26(24-9-5-3-6-10-24)15-31(34)51-41-37-39(54-56-43(37)48-23-46-41)33-16-27(19-44-33)30-18-35(58-2)32(17-29(30)25-11-7-4-8-12-25)52-40-36-38(28-20-49-50-21-28)53-55-42(36)47-22-45-40/h3-23,44H,1-2H3,(H,49,50)(H2,45,47,52,53,55)(H2,46,48,51,54,56)
InChIKeyJBGKFVLVIQQTDW-UHFFFAOYSA-N
MW763.83 g/mol
LogP8.91
Rot. Bonds11

About N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 137245156) has the molecular formula C43H33N13O2 and a molecular weight of 763.83 g/mol. Its IUPAC name is N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID137245156
Molecular FormulaC43H33N13O2
Molecular Weight763.83 g/mol
Exact Mass763.29
IUPAC NameN-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2c[nH]c(-c3n[nH]c4ncnc(Nc5cc(-c6ccccc6)ccc5OC)c34)c2)c(-c2ccccc2)cc1Nc1ncnc2[nH]nc(-c3cn[nH]c3)c12
InChIInChI=1S/C43H33N13O2/c1-57-34-14-13-26(24-9-5-3-6-10-24)15-31(34)51-41-37-39(54-56-43(37)48-23-46-41)33-16-27(19-44-33)30-18-35(58-2)32(17-29(30)25-11-7-4-8-12-25)52-40-36-38(28-20-49-50-21-28)53-55-42(36)47-22-45-40/h3-23,44H,1-2H3,(H,49,50)(H2,45,47,52,53,55)(H2,46,48,51,54,56)
InChIKeyJBGKFVLVIQQTDW-UHFFFAOYSA-N
XLogP8.91
TPSA195.91 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500763.83
LogP ≤ 58.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 137245156) is N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is COc1cc(-c2c[nH]c(-c3n[nH]c4ncnc(Nc5cc(-c6ccccc6)ccc5OC)c34)c2)c(-c2ccccc2)cc1Nc1ncnc2[nH]nc(-c3cn[nH]c3)c12.
What is the InChIKey of N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JBGKFVLVIQQTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N13O2/c1-57-34-14-13-26(24-9-5-3-6-10-24)15-31(34)51-41-37-39(54-56-43(37)48-23-46-41)33-16-27(19-44-33)30-18-35(58-2)32(17-29(30)25-11-7-4-8-12-25)52-40-36-38(28-20-49-50-21-28)53-55-42(36)47-22-45-40/h3-23,44H,1-2H3,(H,49,50)(H2,45,47,52,53,55)(H2,46,48,51,54,56).
What are the key properties of N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 763.83 g/mol, XLogP of 8.91, 11 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-phenylphenyl)-3-[4-[5-methoxy-2-phenyl-4-[[3-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]phenyl]-1H-pyrrol-2-yl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 137245156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).