1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde

C25H21FN2O2 — CID 88903316

IUPAC1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde
SMILESO=CC1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ncc4o3)c(F)c2)C1
InChIInChI=1S/C25H21FN2O2/c26-23-9-18(13-28-14-19(15-28)16-29)6-7-22(23)24-11-20-10-21(27-12-25(20)30-24)8-17-4-2-1-3-5-17/h1-7,9-12,16,19H,8,13-15H2
InChIKeyLDPXBKQYWHDWCO-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.86
Rot. Bonds6

About 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde

1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde (PubChem CID 88903316) has the molecular formula C25H21FN2O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde
PubChem CID88903316
Molecular FormulaC25H21FN2O2
Molecular Weight400.45 g/mol
Exact Mass400.16
IUPAC Name1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde
SMILESO=CC1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ncc4o3)c(F)c2)C1
InChIInChI=1S/C25H21FN2O2/c26-23-9-18(13-28-14-19(15-28)16-29)6-7-22(23)24-11-20-10-21(27-12-25(20)30-24)8-17-4-2-1-3-5-17/h1-7,9-12,16,19H,8,13-15H2
InChIKeyLDPXBKQYWHDWCO-UHFFFAOYSA-N
XLogP4.86
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde?
The IUPAC name of 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde (CID 88903316) is 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde.
What is the SMILES notation for 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde?
The canonical SMILES for 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde is O=CC1CN(Cc2ccc(-c3cc4cc(Cc5ccccc5)ncc4o3)c(F)c2)C1.
What is the InChIKey of 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde?
The InChIKey is LDPXBKQYWHDWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2/c26-23-9-18(13-28-14-19(15-28)16-29)6-7-22(23)24-11-20-10-21(27-12-25(20)30-24)8-17-4-2-1-3-5-17/h1-7,9-12,16,19H,8,13-15H2.
What are the key properties of 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde?
1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde has a molecular weight of 400.45 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-benzylfuro[2,3-c]pyridin-2-yl)-3-fluorophenyl]methyl]azetidine-3-carbaldehyde is sourced from PubChem (CID 88903316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).