8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

C26H21FN2O — CID 90138374

IUPAC8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(-c2ccc(F)cc2)ccn1
InChIInChI=1S/C26H21FN2O/c1-15(2)22-11-10-21-20-9-4-16(3)24(25(20)30-26(21)29-22)23-14-18(12-13-28-23)17-5-7-19(27)8-6-17/h4-15H,1-3H3
InChIKeyHBDJAYXYCBGFPA-UHFFFAOYSA-N
MW396.47 g/mol
LogP7.28
Rot. Bonds3

About 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine

8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (PubChem CID 90138374) has the molecular formula C26H21FN2O and a molecular weight of 396.47 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
PubChem CID90138374
Molecular FormulaC26H21FN2O
Molecular Weight396.47 g/mol
Exact Mass396.16
IUPAC Name8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(-c2ccc(F)cc2)ccn1
InChIInChI=1S/C26H21FN2O/c1-15(2)22-11-10-21-20-9-4-16(3)24(25(20)30-26(21)29-22)23-14-18(12-13-28-23)17-5-7-19(27)8-6-17/h4-15H,1-3H3
InChIKeyHBDJAYXYCBGFPA-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

Analyze 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine with MolForge

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Related Compounds

(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
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CID 49789629
N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
CID 127028963
N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]dibenzofuran-3-carboxamide
CID 134142008
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]dibenzofuran-3-carboxamide
CID 134150726
5,11-Dimethyl[1]benzofuro[3,2-g]isoquinoline
CID 272112
1-Dibenzofuran-4-ylisoquinoline
CID 459769
US20240158379, Example 31
CID 135163579
2-(Dibenzo[b,d]furan-4-yl)pyridine
CID 59500175
1-Phenyl-[1]benzofuro[3,2-c]pyridine
CID 70413488
6-Phenyl-[1]benzofuro[2,3-b]pyridine
CID 90139282
(4-Fluoro-4-pyridin-2-ylpiperidin-1-yl)-(2-methyl-1-benzofuran-3-yl)methanone
CID 137982090

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine (CID 90138374) is 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is Cc1ccc2c(oc3nc(C(C)C)ccc32)c1-c1cc(-c2ccc(F)cc2)ccn1.
What is the InChIKey of 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
The InChIKey is HBDJAYXYCBGFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O/c1-15(2)22-11-10-21-20-9-4-16(3)24(25(20)30-26(21)29-22)23-14-18(12-13-28-23)17-5-7-19(27)8-6-17/h4-15H,1-3H3.
What are the key properties of 8-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine?
8-[4-(4-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-[4-(4-fluorophenyl)-2-pyridinyl]-7-methyl-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90138374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).