3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C17H17FN4O3 — CID 42095592

IUPAC3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C17H17FN4O3/c18-12-3-1-2-11(8-12)16-13-9-21(5-4-14(13)19-20-16)15(23)10-22-6-7-25-17(22)24/h1-3,8H,4-7,9-10H2,(H,19,20)
InChIKeyJACNJGJEVTUKDI-UHFFFAOYSA-N
MW344.35 g/mol
LogP1.55
Rot. Bonds3

About 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 42095592) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID42095592
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C17H17FN4O3/c18-12-3-1-2-11(8-12)16-13-9-21(5-4-14(13)19-20-16)15(23)10-22-6-7-25-17(22)24/h1-3,8H,4-7,9-10H2,(H,19,20)
InChIKeyJACNJGJEVTUKDI-UHFFFAOYSA-N
XLogP1.55
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 42095592) is 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1.
What is the InChIKey of 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is JACNJGJEVTUKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-12-3-1-2-11(8-12)16-13-9-21(5-4-14(13)19-20-16)15(23)10-22-6-7-25-17(22)24/h1-3,8H,4-7,9-10H2,(H,19,20).
What are the key properties of 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 344.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 42095592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).