2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione

C19H11FN6O2 — CID 56598243

IUPAC2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
SMILESO=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1=O
InChIInChI=1S/C19H11FN6O2/c20-13-6-2-1-4-10(13)9-26-18-11(5-3-7-21-18)14(25-26)17-22-8-12-15(27)19(28)24-16(12)23-17/h1-8H,9H2,(H,22,23,24,27,28)
InChIKeyRYCLGGZZBDAFER-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.21
Rot. Bonds3

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione (PubChem CID 56598243) has the molecular formula C19H11FN6O2 and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
PubChem CID56598243
Molecular FormulaC19H11FN6O2
Molecular Weight374.34 g/mol
Exact Mass374.09
IUPAC Name2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione
SMILESO=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1=O
InChIInChI=1S/C19H11FN6O2/c20-13-6-2-1-4-10(13)9-26-18-11(5-3-7-21-18)14(25-26)17-22-8-12-15(27)19(28)24-16(12)23-17/h1-8H,9H2,(H,22,23,24,27,28)
InChIKeyRYCLGGZZBDAFER-UHFFFAOYSA-N
XLogP2.21
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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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]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione (CID 56598243) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione is O=C1Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)ncc2C1=O.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione?
The InChIKey is RYCLGGZZBDAFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN6O2/c20-13-6-2-1-4-10(13)9-26-18-11(5-3-7-21-18)14(25-26)17-22-8-12-15(27)19(28)24-16(12)23-17/h1-8H,9H2,(H,22,23,24,27,28).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione?
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione has a molecular weight of 374.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 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]-7H-pyrrolo[2,3-d]pyrimidine-5,6-dione is sourced from PubChem (CID 56598243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).