6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole

C13H14FN3 — CID 168941519

IUPAC6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole
SMILESCN1CCC=C(c2n[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C13H14FN3/c1-17-6-2-3-9(8-17)13-11-5-4-10(14)7-12(11)15-16-13/h3-5,7H,2,6,8H2,1H3,(H,15,16)
InChIKeyYRFYGHFCSNGREN-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.42
Rot. Bonds1

About 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole

6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole (PubChem CID 168941519) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole.

Molecular Properties

Compound Name6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole
PubChem CID168941519
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole
SMILESCN1CCC=C(c2n[nH]c3cc(F)ccc23)C1
InChIInChI=1S/C13H14FN3/c1-17-6-2-3-9(8-17)13-11-5-4-10(14)7-12(11)15-16-13/h3-5,7H,2,6,8H2,1H3,(H,15,16)
InChIKeyYRFYGHFCSNGREN-UHFFFAOYSA-N
XLogP2.42
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole 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 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole?
The IUPAC name of 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole (CID 168941519) is 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole.
What is the SMILES notation for 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole?
The canonical SMILES for 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole is CN1CCC=C(c2n[nH]c3cc(F)ccc23)C1.
What is the InChIKey of 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole?
The InChIKey is YRFYGHFCSNGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-17-6-2-3-9(8-17)13-11-5-4-10(14)7-12(11)15-16-13/h3-5,7H,2,6,8H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole?
6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole has a molecular weight of 231.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-indazole is sourced from PubChem (CID 168941519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).