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

C20H12F4N6O2 — CID 56598245

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)C(F)(F)F
InChIInChI=1S/C20H12F4N6O2/c21-13-6-2-1-4-10(13)9-30-17-11(5-3-7-25-17)14(29-30)16-26-8-12-15(27-16)28-18(31)19(12,32)20(22,23)24/h1-8,32H,9H2,(H,26,27,28,31)
InChIKeyIWJCFYLPIXBRFH-UHFFFAOYSA-N
MW444.35 g/mol
LogP2.78
Rot. Bonds3

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 56598245) has the molecular formula C20H12F4N6O2 and a molecular weight of 444.35 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-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-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID56598245
Molecular FormulaC20H12F4N6O2
Molecular Weight444.35 g/mol
Exact Mass444.10
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)C(F)(F)F
InChIInChI=1S/C20H12F4N6O2/c21-13-6-2-1-4-10(13)9-30-17-11(5-3-7-25-17)14(29-30)16-26-8-12-15(27-16)28-18(31)19(12,32)20(22,23)24/h1-8,32H,9H2,(H,26,27,28,31)
InChIKeyIWJCFYLPIXBRFH-UHFFFAOYSA-N
XLogP2.78
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.35
LogP ≤ 52.78
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-(trifluoromethyl)-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-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 56598245) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1(O)C(F)(F)F.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IWJCFYLPIXBRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N6O2/c21-13-6-2-1-4-10(13)9-30-17-11(5-3-7-25-17)14(29-30)16-26-8-12-15(27-16)28-18(31)19(12,32)20(22,23)24/h1-8,32H,9H2,(H,26,27,28,31).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-hydroxy-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 444.35 g/mol, XLogP of 2.78, 3 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-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 56598245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).