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

C25H23FN10O — CID 71290228

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(NCCn3ccnn3)c21
InChIInChI=1S/C25H23FN10O/c1-25(2)18-20(27-10-12-35-13-11-29-34-35)30-22(31-21(18)32-24(25)37)19-16-7-5-9-28-23(16)36(33-19)14-15-6-3-4-8-17(15)26/h3-9,11,13H,10,12,14H2,1-2H3,(H2,27,30,31,32,37)
InChIKeyYIHSSGGRIDEKIS-UHFFFAOYSA-N
MW498.53 g/mol
LogP3.01
Rot. Bonds7

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

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 71290228) has the molecular formula C25H23FN10O and a molecular weight of 498.53 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID71290228
Molecular FormulaC25H23FN10O
Molecular Weight498.53 g/mol
Exact Mass498.20
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(NCCn3ccnn3)c21
InChIInChI=1S/C25H23FN10O/c1-25(2)18-20(27-10-12-35-13-11-29-34-35)30-22(31-21(18)32-24(25)37)19-16-7-5-9-28-23(16)36(33-19)14-15-6-3-4-8-17(15)26/h3-9,11,13H,10,12,14H2,1-2H3,(H2,27,30,31,32,37)
InChIKeyYIHSSGGRIDEKIS-UHFFFAOYSA-N
XLogP3.01
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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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]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 71290228) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-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]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(NCCn3ccnn3)c21.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is YIHSSGGRIDEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN10O/c1-25(2)18-20(27-10-12-35-13-11-29-34-35)30-22(31-21(18)32-24(25)37)19-16-7-5-9-28-23(16)36(33-19)14-15-6-3-4-8-17(15)26/h3-9,11,13H,10,12,14H2,1-2H3,(H2,27,30,31,32,37).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 498.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[2-(triazol-1-yl)ethylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 71290228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).