2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C25H17FN6O2 — CID 56597343

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)c1ccccc1
InChIInChI=1S/C25H17FN6O2/c26-19-11-5-4-7-15(19)14-32-23-17(10-6-12-27-23)20(31-32)22-28-13-18-21(29-22)30-24(33)25(18,34)16-8-2-1-3-9-16/h1-13,34H,14H2,(H,28,29,30,33)
InChIKeyUNARDXMKRZJEID-UHFFFAOYSA-N
MW452.45 g/mol
LogP3.26
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 56597343) has the molecular formula C25H17FN6O2 and a molecular weight of 452.45 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID56597343
Molecular FormulaC25H17FN6O2
Molecular Weight452.45 g/mol
Exact Mass452.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)c1ccccc1
InChIInChI=1S/C25H17FN6O2/c26-19-11-5-4-7-15(19)14-32-23-17(10-6-12-27-23)20(31-32)22-28-13-18-21(29-22)30-24(33)25(18,34)16-8-2-1-3-9-16/h1-13,34H,14H2,(H,28,29,30,33)
InChIKeyUNARDXMKRZJEID-UHFFFAOYSA-N
XLogP3.26
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 56597343) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)c1ccccc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is UNARDXMKRZJEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6O2/c26-19-11-5-4-7-15(19)14-32-23-17(10-6-12-27-23)20(31-32)22-28-13-18-21(29-22)30-24(33)25(18,34)16-8-2-1-3-9-16/h1-13,34H,14H2,(H,28,29,30,33).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 452.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 56597343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).