2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C19H21FN4O2 — CID 46075965

IUPAC2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C19H21FN4O2/c20-15-6-2-1-5-13(15)11-17(25)24-10-7-16-14(12-24)18(22-21-16)19(26)23-8-3-4-9-23/h1-2,5-6H,3-4,7-12H2,(H,21,22)
InChIKeyYIMMIKJNDHWMPA-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 46075965) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID46075965
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1ccccc1F)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1
InChIInChI=1S/C19H21FN4O2/c20-15-6-2-1-5-13(15)11-17(25)24-10-7-16-14(12-24)18(22-21-16)19(26)23-8-3-4-9-23/h1-2,5-6H,3-4,7-12H2,(H,21,22)
InChIKeyYIMMIKJNDHWMPA-UHFFFAOYSA-N
XLogP1.91
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 46075965) is 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is O=C(Cc1ccccc1F)N1CCc2[nH]nc(C(=O)N3CCCC3)c2C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is YIMMIKJNDHWMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-6-2-1-5-13(15)11-17(25)24-10-7-16-14(12-24)18(22-21-16)19(26)23-8-3-4-9-23/h1-2,5-6H,3-4,7-12H2,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 356.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(pyrrolidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 46075965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).