4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile

C24H24FN5O2 — CID 118614550

IUPAC4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)c(F)c3)cc(N3CCC(N)CC3)c(=O)n2C)cn1
InChIInChI=1S/C24H24FN5O2/c1-29-23(17-5-6-22(32-2)28-14-17)19(15-3-4-16(13-26)20(25)11-15)12-21(24(29)31)30-9-7-18(27)8-10-30/h3-6,11-12,14,18H,7-10,27H2,1-2H3
InChIKeyIYRZSXXHYZMGSM-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.06
Rot. Bonds4

About 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile

4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile (PubChem CID 118614550) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile
PubChem CID118614550
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)c(F)c3)cc(N3CCC(N)CC3)c(=O)n2C)cn1
InChIInChI=1S/C24H24FN5O2/c1-29-23(17-5-6-22(32-2)28-14-17)19(15-3-4-16(13-26)20(25)11-15)12-21(24(29)31)30-9-7-18(27)8-10-30/h3-6,11-12,14,18H,7-10,27H2,1-2H3
InChIKeyIYRZSXXHYZMGSM-UHFFFAOYSA-N
XLogP3.06
TPSA97.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile 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-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile?
The IUPAC name of 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile (CID 118614550) is 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile is COc1ccc(-c2c(-c3ccc(C#N)c(F)c3)cc(N3CCC(N)CC3)c(=O)n2C)cn1.
What is the InChIKey of 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile?
The InChIKey is IYRZSXXHYZMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-29-23(17-5-6-22(32-2)28-14-17)19(15-3-4-16(13-26)20(25)11-15)12-21(24(29)31)30-9-7-18(27)8-10-30/h3-6,11-12,14,18H,7-10,27H2,1-2H3.
What are the key properties of 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile?
4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile has a molecular weight of 433.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-aminopiperidin-1-yl)-2-(6-methoxy-3-pyridinyl)-1-methyl-6-oxo-3-pyridinyl]-2-fluorobenzonitrile is sourced from PubChem (CID 118614550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).