1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C15H12FN3O2 — CID 135603505

IUPAC1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1ncc2c(=O)c(C(=O)c3cccc(F)c3)c[nH]c21
InChIInChI=1S/C15H12FN3O2/c1-2-19-15-12(8-18-19)14(21)11(7-17-15)13(20)9-4-3-5-10(16)6-9/h3-8H,2H2,1H3,(H,17,21)
InChIKeyPMNUTQBDFZDMEH-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.11
Rot. Bonds3

About 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one

1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135603505) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135603505
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1ncc2c(=O)c(C(=O)c3cccc(F)c3)c[nH]c21
InChIInChI=1S/C15H12FN3O2/c1-2-19-15-12(8-18-19)14(21)11(7-17-15)13(20)9-4-3-5-10(16)6-9/h3-8H,2H2,1H3,(H,17,21)
InChIKeyPMNUTQBDFZDMEH-UHFFFAOYSA-N
XLogP2.11
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135603505) is 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1ncc2c(=O)c(C(=O)c3cccc(F)c3)c[nH]c21.
What is the InChIKey of 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is PMNUTQBDFZDMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-2-19-15-12(8-18-19)14(21)11(7-17-15)13(20)9-4-3-5-10(16)6-9/h3-8H,2H2,1H3,(H,17,21).
What are the key properties of 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 285.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135603505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).