6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C26H23N7O — CID 137274972

IUPAC6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccc(N3CCc4ccccc4C3)nc2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C26H23N7O/c34-25-22-16-29-33(21-8-2-1-3-9-21)24(22)30-26(31-25)28-15-18-10-11-23(27-14-18)32-13-12-19-6-4-5-7-20(19)17-32/h1-11,14,16H,12-13,15,17H2,(H2,28,30,31,34)
InChIKeyCDUFDVZTJUPYEI-UHFFFAOYSA-N
MW449.52 g/mol
LogP3.68
Rot. Bonds5

About 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137274972) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137274972
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(NCc2ccc(N3CCc4ccccc4C3)nc2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C26H23N7O/c34-25-22-16-29-33(21-8-2-1-3-9-21)24(22)30-26(31-25)28-15-18-10-11-23(27-14-18)32-13-12-19-6-4-5-7-20(19)17-32/h1-11,14,16H,12-13,15,17H2,(H2,28,30,31,34)
InChIKeyCDUFDVZTJUPYEI-UHFFFAOYSA-N
XLogP3.68
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137274972) is 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(NCc2ccc(N3CCc4ccccc4C3)nc2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CDUFDVZTJUPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c34-25-22-16-29-33(21-8-2-1-3-9-21)24(22)30-26(31-25)28-15-18-10-11-23(27-14-18)32-13-12-19-6-4-5-7-20(19)17-32/h1-11,14,16H,12-13,15,17H2,(H2,28,30,31,34).
What are the key properties of 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 449.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137274972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).