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

C25H15F2NO — CID 162409226

IUPAC(4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cccn2c1c(-c1ccccc1F)c1ccccc12
InChIInChI=1S/C25H15F2NO/c26-17-13-11-16(12-14-17)25(29)20-8-5-15-28-22-10-4-2-7-19(22)23(24(20)28)18-6-1-3-9-21(18)27/h1-15H
InChIKeyCIAJXRHRVHFXQS-UHFFFAOYSA-N
MW383.40 g/mol
LogP6.27
Rot. Bonds3

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

(4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone (PubChem CID 162409226) has the molecular formula C25H15F2NO and a molecular weight of 383.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone
PubChem CID162409226
Molecular FormulaC25H15F2NO
Molecular Weight383.40 g/mol
Exact Mass383.11
IUPAC Name(4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone
SMILESO=C(c1ccc(F)cc1)c1cccn2c1c(-c1ccccc1F)c1ccccc12
InChIInChI=1S/C25H15F2NO/c26-17-13-11-16(12-14-17)25(29)20-8-5-15-28-22-10-4-2-7-19(22)23(24(20)28)18-6-1-3-9-21(18)27/h1-15H
InChIKeyCIAJXRHRVHFXQS-UHFFFAOYSA-N
XLogP6.27
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone (CID 162409226) is (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone is O=C(c1ccc(F)cc1)c1cccn2c1c(-c1ccccc1F)c1ccccc12.
What is the InChIKey of (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone?
The InChIKey is CIAJXRHRVHFXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F2NO/c26-17-13-11-16(12-14-17)25(29)20-8-5-15-28-22-10-4-2-7-19(22)23(24(20)28)18-6-1-3-9-21(18)27/h1-15H.
What are the key properties of (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone?
(4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone has a molecular weight of 383.40 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[10-(2-fluorophenyl)pyrido[1,2-a]indol-9-yl]methanone is sourced from PubChem (CID 162409226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).