2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine

C24H22FNO2 — CID 126626928

IUPAC2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine
SMILESCOc1cccnc1-c1ccc(F)c2c1CCC2Oc1ccc(C2CC2)cc1
InChIInChI=1S/C24H22FNO2/c1-27-22-3-2-14-26-24(22)19-10-12-20(25)23-18(19)11-13-21(23)28-17-8-6-16(7-9-17)15-4-5-15/h2-3,6-10,12,14-15,21H,4-5,11,13H2,1H3
InChIKeyPFJBOYJVKHAYGT-UHFFFAOYSA-N
MW375.44 g/mol
LogP5.84
Rot. Bonds5

About 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine

2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine (PubChem CID 126626928) has the molecular formula C24H22FNO2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine
PubChem CID126626928
Molecular FormulaC24H22FNO2
Molecular Weight375.44 g/mol
Exact Mass375.16
IUPAC Name2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine
SMILESCOc1cccnc1-c1ccc(F)c2c1CCC2Oc1ccc(C2CC2)cc1
InChIInChI=1S/C24H22FNO2/c1-27-22-3-2-14-26-24(22)19-10-12-20(25)23-18(19)11-13-21(23)28-17-8-6-16(7-9-17)15-4-5-15/h2-3,6-10,12,14-15,21H,4-5,11,13H2,1H3
InChIKeyPFJBOYJVKHAYGT-UHFFFAOYSA-N
XLogP5.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine?
The IUPAC name of 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine (CID 126626928) is 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine.
What is the SMILES notation for 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine?
The canonical SMILES for 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine is COc1cccnc1-c1ccc(F)c2c1CCC2Oc1ccc(C2CC2)cc1.
What is the InChIKey of 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine?
The InChIKey is PFJBOYJVKHAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO2/c1-27-22-3-2-14-26-24(22)19-10-12-20(25)23-18(19)11-13-21(23)28-17-8-6-16(7-9-17)15-4-5-15/h2-3,6-10,12,14-15,21H,4-5,11,13H2,1H3.
What are the key properties of 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine?
2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine has a molecular weight of 375.44 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-methoxypyridine is sourced from PubChem (CID 126626928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).