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

C20H18FN3O2 — CID 67971738

IUPAC[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
SMILESCC(=O)OC1CCc2c(-c3cn(C)nc3-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C20H18FN3O2/c1-12(25)26-18-8-7-16-15(9-10-22-20(16)18)17-11-24(2)23-19(17)13-3-5-14(21)6-4-13/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyFIANWVNIQUMHLC-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.84
Rot. Bonds3

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

[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate (PubChem CID 67971738) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
PubChem CID67971738
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate
SMILESCC(=O)OC1CCc2c(-c3cn(C)nc3-c3ccc(F)cc3)ccnc21
InChIInChI=1S/C20H18FN3O2/c1-12(25)26-18-8-7-16-15(9-10-22-20(16)18)17-11-24(2)23-19(17)13-3-5-14(21)6-4-13/h3-6,9-11,18H,7-8H2,1-2H3
InChIKeyFIANWVNIQUMHLC-UHFFFAOYSA-N
XLogP3.84
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-yl] acetate?
The IUPAC name of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate (CID 67971738) is [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate is CC(=O)OC1CCc2c(-c3cn(C)nc3-c3ccc(F)cc3)ccnc21.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
The InChIKey is FIANWVNIQUMHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-12(25)26-18-8-7-16-15(9-10-22-20(16)18)17-11-24(2)23-19(17)13-3-5-14(21)6-4-13/h3-6,9-11,18H,7-8H2,1-2H3.
What are the key properties of [4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate?
[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl] acetate has a molecular weight of 351.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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-yl] acetate is sourced from PubChem (CID 67971738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).