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

C17H18FN3O2 — CID 53185493

IUPAC[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H18FN3O2/c18-12-5-3-11(4-6-12)16-13-10-21(8-7-14(13)19-20-16)17(22)15-2-1-9-23-15/h3-6,15H,1-2,7-10H2,(H,19,20)
InChIKeyJDSVCOFLKYCKCZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.28
Rot. Bonds2

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

[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone (PubChem CID 53185493) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
PubChem CID53185493
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C17H18FN3O2/c18-12-5-3-11(4-6-12)16-13-10-21(8-7-14(13)19-20-16)17(22)15-2-1-9-23-15/h3-6,15H,1-2,7-10H2,(H,19,20)
InChIKeyJDSVCOFLKYCKCZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone (CID 53185493) is [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
The InChIKey is JDSVCOFLKYCKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-12-5-3-11(4-6-12)16-13-10-21(8-7-14(13)19-20-16)17(22)15-2-1-9-23-15/h3-6,15H,1-2,7-10H2,(H,19,20).
What are the key properties of [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone?
[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone has a molecular weight of 315.35 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 53185493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).