4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C18H16FN3O — CID 67971422

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCn1cc(-c2ccnc3c2CCC3O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O/c1-22-10-15(17(21-22)11-2-4-12(19)5-3-11)13-8-9-20-18-14(13)6-7-16(18)23/h2-5,8-10,16,23H,6-7H2,1H3
InChIKeyFITJHEUPDOYIPG-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.27
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 67971422) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
PubChem CID67971422
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
SMILESCn1cc(-c2ccnc3c2CCC3O)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H16FN3O/c1-22-10-15(17(21-22)11-2-4-12(19)5-3-11)13-8-9-20-18-14(13)6-7-16(18)23/h2-5,8-10,16,23H,6-7H2,1H3
InChIKeyFITJHEUPDOYIPG-UHFFFAOYSA-N
XLogP3.27
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol 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-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 67971422) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is Cn1cc(-c2ccnc3c2CCC3O)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
The InChIKey is FITJHEUPDOYIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-22-10-15(17(21-22)11-2-4-12(19)5-3-11)13-8-9-20-18-14(13)6-7-16(18)23/h2-5,8-10,16,23H,6-7H2,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 309.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 67971422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).