4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile

C24H24FN5O — CID 154644648

IUPAC4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCCN2CCNCC2)n1
InChIInChI=1S/C24H24FN5O/c1-17-3-2-8-28-23(17)22-15-20(18-4-6-19(25)7-5-18)21(16-26)24(29-22)31-14-13-30-11-9-27-10-12-30/h2-8,15,27H,9-14H2,1H3
InChIKeyDZWILNJWGGVWBV-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.41
Rot. Bonds6

About 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile

4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile (PubChem CID 154644648) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile
PubChem CID154644648
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCCN2CCNCC2)n1
InChIInChI=1S/C24H24FN5O/c1-17-3-2-8-28-23(17)22-15-20(18-4-6-19(25)7-5-18)21(16-26)24(29-22)31-14-13-30-11-9-27-10-12-30/h2-8,15,27H,9-14H2,1H3
InChIKeyDZWILNJWGGVWBV-UHFFFAOYSA-N
XLogP3.41
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile 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 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile (CID 154644648) is 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile is Cc1cccnc1-c1cc(-c2ccc(F)cc2)c(C#N)c(OCCN2CCNCC2)n1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile?
The InChIKey is DZWILNJWGGVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-17-3-2-8-28-23(17)22-15-20(18-4-6-19(25)7-5-18)21(16-26)24(29-22)31-14-13-30-11-9-27-10-12-30/h2-8,15,27H,9-14H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile has a molecular weight of 417.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(2-piperazin-1-ylethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 154644648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).