4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one

C17H20FN3O2 — CID 71858965

IUPAC4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
SMILESCOc1ccc(CCCC(=O)N2CCc3[nH]ncc3C2)cc1F
InChIInChI=1S/C17H20FN3O2/c1-23-16-6-5-12(9-14(16)18)3-2-4-17(22)21-8-7-15-13(11-21)10-19-20-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyFLZDHRGFUGGVTE-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.46
Rot. Bonds5

About 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one

4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one (PubChem CID 71858965) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
PubChem CID71858965
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one
SMILESCOc1ccc(CCCC(=O)N2CCc3[nH]ncc3C2)cc1F
InChIInChI=1S/C17H20FN3O2/c1-23-16-6-5-12(9-14(16)18)3-2-4-17(22)21-8-7-15-13(11-21)10-19-20-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,20)
InChIKeyFLZDHRGFUGGVTE-UHFFFAOYSA-N
XLogP2.46
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one (CID 71858965) is 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one is COc1ccc(CCCC(=O)N2CCc3[nH]ncc3C2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
The InChIKey is FLZDHRGFUGGVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-16-6-5-12(9-14(16)18)3-2-4-17(22)21-8-7-15-13(11-21)10-19-20-15/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,19,20).
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one?
4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one has a molecular weight of 317.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)butan-1-one is sourced from PubChem (CID 71858965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).