1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one

C18H15FN4O2 — CID 75377385

IUPAC1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C18H15FN4O2/c19-14-2-4-15(5-3-14)23-11-12(1-6-17(23)24)18(25)22-8-7-16-13(10-22)9-20-21-16/h1-6,9,11H,7-8,10H2,(H,20,21)
InChIKeyTUFAGHZCYWBXLG-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.90
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one

1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one (PubChem CID 75377385) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
PubChem CID75377385
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one
SMILESO=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C18H15FN4O2/c19-14-2-4-15(5-3-14)23-11-12(1-6-17(23)24)18(25)22-8-7-16-13(10-22)9-20-21-16/h1-6,9,11H,7-8,10H2,(H,20,21)
InChIKeyTUFAGHZCYWBXLG-UHFFFAOYSA-N
XLogP1.90
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one (CID 75377385) is 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one is O=C(c1ccc(=O)n(-c2ccc(F)cc2)c1)N1CCc2[nH]ncc2C1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
The InChIKey is TUFAGHZCYWBXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-2-4-15(5-3-14)23-11-12(1-6-17(23)24)18(25)22-8-7-16-13(10-22)9-20-21-16/h1-6,9,11H,7-8,10H2,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one?
1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one has a molecular weight of 338.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)pyridin-2-one is sourced from PubChem (CID 75377385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).