3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

C23H25FN4O2 — CID 162663760

IUPAC3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC
InChIInChI=1S/C23H25FN4O2/c1-29-21-13-16(12-20(24)22(21)30-2)19-11-17(14-27-23(19)25)15-3-5-18(6-4-15)28-9-7-26-8-10-28/h3-6,11-14,26H,7-10H2,1-2H3,(H2,25,27)
InChIKeyUIIXJLLQKFFGKU-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.56
Rot. Bonds5

About 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine

3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (PubChem CID 162663760) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
PubChem CID162663760
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
SMILESCOc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC
InChIInChI=1S/C23H25FN4O2/c1-29-21-13-16(12-20(24)22(21)30-2)19-11-17(14-27-23(19)25)15-3-5-18(6-4-15)28-9-7-26-8-10-28/h3-6,11-14,26H,7-10H2,1-2H3,(H2,25,27)
InChIKeyUIIXJLLQKFFGKU-UHFFFAOYSA-N
XLogP3.56
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 126673167
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
2-chloro-5-(4-piperidin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridine
CID 130188351
N-[2-methoxy-4-[2-methyl-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]phenyl]propane-1-sulfonamide
CID 135348456
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-5-chlorophenyl]propane-1-sulfonamide
CID 135348302
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
CID 135348441
2-(3,4-dimethoxyphenyl)-1-methyl-6-(4-piperazin-1-ylphenyl)pyrrolo[3,2-b]pyridine
CID 162736593
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-hydroxyphenyl]propane-1-sulfonamide
CID 135348450
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976
N-[5-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170409748
3-[2-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 126672824

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The IUPAC name of 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine (CID 162663760) is 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The canonical SMILES for 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)cc(F)c1OC.
What is the InChIKey of 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
The InChIKey is UIIXJLLQKFFGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-29-21-13-16(12-20(24)22(21)30-2)19-11-17(14-27-23(19)25)15-3-5-18(6-4-15)28-9-7-26-8-10-28/h3-6,11-14,26H,7-10H2,1-2H3,(H2,25,27).
What are the key properties of 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine?
3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine has a molecular weight of 408.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4,5-dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 162663760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).