8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C26H21FN2O — CID 90138381

IUPAC8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ccc(-c2cccc(F)c2)cn1
InChIInChI=1S/C26H21FN2O/c1-15(2)22-12-10-21-20-9-7-16(3)24(25(20)30-26(21)29-22)23-11-8-18(14-28-23)17-5-4-6-19(27)13-17/h4-15H,1-3H3
InChIKeyMOQRVSJJZCBOAY-UHFFFAOYSA-N
MW396.47 g/mol
LogP7.28
Rot. Bonds3

About 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138381) has the molecular formula C26H21FN2O and a molecular weight of 396.47 g/mol. Its IUPAC name is 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID90138381
Molecular FormulaC26H21FN2O
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ccc(-c2cccc(F)c2)cn1
InChIInChI=1S/C26H21FN2O/c1-15(2)22-12-10-21-20-9-7-16(3)24(25(20)30-26(21)29-22)23-11-8-18(14-28-23)17-5-4-6-19(27)13-17/h4-15H,1-3H3
InChIKeyMOQRVSJJZCBOAY-UHFFFAOYSA-N
XLogP7.28
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.47
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 90138381) is 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1ccc(-c2cccc(F)c2)cn1.
What is the InChIKey of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is MOQRVSJJZCBOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O/c1-15(2)22-12-10-21-20-9-7-16(3)24(25(20)30-26(21)29-22)23-11-8-18(14-28-23)17-5-4-6-19(27)13-17/h4-15H,1-3H3.
What are the key properties of 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine has a molecular weight of 396.47 g/mol, XLogP of 7.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).