3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole

C17H11FN4O — CID 159940619

IUPAC3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccnc(-c3cc4ccc(F)cc4cn3)c2)no1
InChIInChI=1S/C17H11FN4O/c1-10-21-17(22-23-10)12-4-5-19-15(8-12)16-7-11-2-3-14(18)6-13(11)9-20-16/h2-9H,1H3
InChIKeySPKNDCJLEJRLGR-UHFFFAOYSA-N
MW306.30 g/mol
LogP3.79
Rot. Bonds2

About 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole

3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 159940619) has the molecular formula C17H11FN4O and a molecular weight of 306.30 g/mol. Its IUPAC name is 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
PubChem CID159940619
Molecular FormulaC17H11FN4O
Molecular Weight306.30 g/mol
Exact Mass306.09
IUPAC Name3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2ccnc(-c3cc4ccc(F)cc4cn3)c2)no1
InChIInChI=1S/C17H11FN4O/c1-10-21-17(22-23-10)12-4-5-19-15(8-12)16-7-11-2-3-14(18)6-13(11)9-20-16/h2-9H,1H3
InChIKeySPKNDCJLEJRLGR-UHFFFAOYSA-N
XLogP3.79
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole (CID 159940619) is 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2ccnc(-c3cc4ccc(F)cc4cn3)c2)no1.
What is the InChIKey of 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is SPKNDCJLEJRLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O/c1-10-21-17(22-23-10)12-4-5-19-15(8-12)16-7-11-2-3-14(18)6-13(11)9-20-16/h2-9H,1H3.
What are the key properties of 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole?
3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 306.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-fluoroisoquinolin-3-yl)-4-pyridinyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 159940619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).