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

C18H15FN4O — CID 73213414

IUPAC2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cccnc1COc1cc(-c2cncnc2)c2c(n1)CCC2
InChIInChI=1S/C18H15FN4O/c19-15-4-2-6-22-17(15)10-24-18-7-14(12-8-20-11-21-9-12)13-3-1-5-16(13)23-18/h2,4,6-9,11H,1,3,5,10H2
InChIKeyJQPYBOWMLVSYFJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.14
Rot. Bonds4

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

2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 73213414) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID73213414
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cccnc1COc1cc(-c2cncnc2)c2c(n1)CCC2
InChIInChI=1S/C18H15FN4O/c19-15-4-2-6-22-17(15)10-24-18-7-14(12-8-20-11-21-9-12)13-3-1-5-16(13)23-18/h2,4,6-9,11H,1,3,5,10H2
InChIKeyJQPYBOWMLVSYFJ-UHFFFAOYSA-N
XLogP3.14
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 73213414) is 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1cccnc1COc1cc(-c2cncnc2)c2c(n1)CCC2.
What is the InChIKey of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is JQPYBOWMLVSYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-4-2-6-22-17(15)10-24-18-7-14(12-8-20-11-21-9-12)13-3-1-5-16(13)23-18/h2,4,6-9,11H,1,3,5,10H2.
What are the key properties of 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 322.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-2-pyridinyl)methoxy]-4-pyrimidin-5-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 73213414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).