(10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone

C26H18FNO — CID 162408592

IUPAC(10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccn2c1c(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H18FNO/c27-20-14-12-19(13-15-20)26(29)22-10-6-16-28-24-11-5-4-9-21(24)23(25(22)28)17-18-7-2-1-3-8-18/h1-16H,17H2
InChIKeyCPCWJQWBAIKDFV-UHFFFAOYSA-N
MW379.43 g/mol
LogP6.05
Rot. Bonds4

About (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone

(10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone (PubChem CID 162408592) has the molecular formula C26H18FNO and a molecular weight of 379.43 g/mol. Its IUPAC name is (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone
PubChem CID162408592
Molecular FormulaC26H18FNO
Molecular Weight379.43 g/mol
Exact Mass379.14
IUPAC Name(10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1cccn2c1c(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H18FNO/c27-20-14-12-19(13-15-20)26(29)22-10-6-16-28-24-11-5-4-9-21(24)23(25(22)28)17-18-7-2-1-3-8-18/h1-16H,17H2
InChIKeyCPCWJQWBAIKDFV-UHFFFAOYSA-N
XLogP6.05
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone (CID 162408592) is (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1cccn2c1c(Cc1ccccc1)c1ccccc12.
What is the InChIKey of (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone?
The InChIKey is CPCWJQWBAIKDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FNO/c27-20-14-12-19(13-15-20)26(29)22-10-6-16-28-24-11-5-4-9-21(24)23(25(22)28)17-18-7-2-1-3-8-18/h1-16H,17H2.
What are the key properties of (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone?
(10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone has a molecular weight of 379.43 g/mol, XLogP of 6.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10-benzylpyrido[1,2-a]indol-9-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 162408592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).