[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone

C17H14FN3OS — CID 42530235

IUPAC[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C17H14FN3OS/c18-12-4-1-3-11(9-12)16-13-10-21(7-6-14(13)19-20-16)17(22)15-5-2-8-23-15/h1-5,8-9H,6-7,10H2,(H,19,20)
InChIKeyJNYJSNTZFXQNRJ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.48
Rot. Bonds2

About [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone

[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone (PubChem CID 42530235) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone
PubChem CID42530235
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C17H14FN3OS/c18-12-4-1-3-11(9-12)16-13-10-21(7-6-14(13)19-20-16)17(22)15-5-2-8-23-15/h1-5,8-9H,6-7,10H2,(H,19,20)
InChIKeyJNYJSNTZFXQNRJ-UHFFFAOYSA-N
XLogP3.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone (CID 42530235) is [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1.
What is the InChIKey of [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone?
The InChIKey is JNYJSNTZFXQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-12-4-1-3-11(9-12)16-13-10-21(7-6-14(13)19-20-16)17(22)15-5-2-8-23-15/h1-5,8-9H,6-7,10H2,(H,19,20).
What are the key properties of [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone?
[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone has a molecular weight of 327.38 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42530235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).