4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

C17H15FN4 — CID 162760946

IUPAC4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCn1cc(-c2ccnc3c2CCC3)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H15FN4/c1-22-10-14(12-7-8-19-15-4-2-3-13(12)15)17(21-22)16-6-5-11(18)9-20-16/h5-10H,2-4H2,1H3
InChIKeyIZJJOTYRARGKMO-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.17
Rot. Bonds2

About 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 162760946) has the molecular formula C17H15FN4 and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID162760946
Molecular FormulaC17H15FN4
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESCn1cc(-c2ccnc3c2CCC3)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C17H15FN4/c1-22-10-14(12-7-8-19-15-4-2-3-13(12)15)17(21-22)16-6-5-11(18)9-20-16/h5-10H,2-4H2,1H3
InChIKeyIZJJOTYRARGKMO-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 162760946) is 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is Cn1cc(-c2ccnc3c2CCC3)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is IZJJOTYRARGKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4/c1-22-10-14(12-7-8-19-15-4-2-3-13(12)15)17(21-22)16-6-5-11(18)9-20-16/h5-10H,2-4H2,1H3.
What are the key properties of 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 294.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoro-2-pyridinyl)-1-methylpyrazol-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 162760946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).