1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one

C21H21FN4O2 — CID 56758139

IUPAC1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c1=O
InChIInChI=1S/C21H21FN4O2/c1-3-26-13(2)8-9-15(21(26)28)20(27)25-11-10-18-16(12-25)19(24-23-18)14-6-4-5-7-17(14)22/h4-9H,3,10-12H2,1-2H3,(H,23,24)
InChIKeyFJFNMIAWBHPOPR-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.90
Rot. Bonds3

About 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one

1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one (PubChem CID 56758139) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one
PubChem CID56758139
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c1=O
InChIInChI=1S/C21H21FN4O2/c1-3-26-13(2)8-9-15(21(26)28)20(27)25-11-10-18-16(12-25)19(24-23-18)14-6-4-5-7-17(14)22/h4-9H,3,10-12H2,1-2H3,(H,23,24)
InChIKeyFJFNMIAWBHPOPR-UHFFFAOYSA-N
XLogP2.90
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one (CID 56758139) is 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one is CCn1c(C)ccc(C(=O)N2CCc3[nH]nc(-c4ccccc4F)c3C2)c1=O.
What is the InChIKey of 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one?
The InChIKey is FJFNMIAWBHPOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-3-26-13(2)8-9-15(21(26)28)20(27)25-11-10-18-16(12-25)19(24-23-18)14-6-4-5-7-17(14)22/h4-9H,3,10-12H2,1-2H3,(H,23,24).
What are the key properties of 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one?
1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one has a molecular weight of 380.42 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56758139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).