[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone

C17H18FN3O2 — CID 45209076

IUPAC[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C17H18FN3O2/c18-13-3-1-2-11(8-13)16-14-9-21(6-4-15(14)19-20-16)17(22)12-5-7-23-10-12/h1-3,8,12H,4-7,9-10H2,(H,19,20)
InChIKeyMLZZHSZIDMRWEY-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.14
Rot. Bonds2

About [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone

[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone (PubChem CID 45209076) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone
PubChem CID45209076
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCc2[nH]nc(-c3cccc(F)c3)c2C1
InChIInChI=1S/C17H18FN3O2/c18-13-3-1-2-11(8-13)16-14-9-21(6-4-15(14)19-20-16)17(22)12-5-7-23-10-12/h1-3,8,12H,4-7,9-10H2,(H,19,20)
InChIKeyMLZZHSZIDMRWEY-UHFFFAOYSA-N
XLogP2.14
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.14
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]-(oxolan-3-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone (CID 45209076) is [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)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]-(oxolan-3-yl)methanone?
The InChIKey is MLZZHSZIDMRWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-3-1-2-11(8-13)16-14-9-21(6-4-15(14)19-20-16)17(22)12-5-7-23-10-12/h1-3,8,12H,4-7,9-10H2,(H,19,20).
What are the key properties of [3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone?
[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-3-yl)methanone has a molecular weight of 315.35 g/mol, XLogP of 2.14, 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]-(oxolan-3-yl)methanone is sourced from PubChem (CID 45209076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).