3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine

C26H32FN5 — CID 144556507

IUPAC3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CCc1c(C)ccc(F)c1C
InChIInChI=1S/C26H32FN5/c1-17(2)31-26-20(6-7-24-18(3)5-8-25(27)19(24)4)13-21(14-29-26)22-15-30-32(16-22)23-9-11-28-12-10-23/h5,8,13-16,23,28H,1,6-7,9-12H2,2-4H3,(H,29,31)
InChIKeyUMAWGSCFFXVTHK-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.36
Rot. Bonds7

About 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine

3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine (PubChem CID 144556507) has the molecular formula C26H32FN5 and a molecular weight of 433.58 g/mol. Its IUPAC name is 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine
PubChem CID144556507
Molecular FormulaC26H32FN5
Molecular Weight433.58 g/mol
Exact Mass433.26
IUPAC Name3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine
SMILESC=C(C)Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CCc1c(C)ccc(F)c1C
InChIInChI=1S/C26H32FN5/c1-17(2)31-26-20(6-7-24-18(3)5-8-25(27)19(24)4)13-21(14-29-26)22-15-30-32(16-22)23-9-11-28-12-10-23/h5,8,13-16,23,28H,1,6-7,9-12H2,2-4H3,(H,29,31)
InChIKeyUMAWGSCFFXVTHK-UHFFFAOYSA-N
XLogP5.36
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-(3-fluoro-2,6-dimethylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72679528
1-[(2,6-difluoro-3-methylphenyl)methoxy]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrrolo[3,2-b]pyridine
CID 58532470
3-[2-(2-chloro-3,6-difluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123322795
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90466221
3-[(2-methylphenyl)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 175975741
5-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-3-[2-(3-fluoro-2,6-dimethylphenyl)propyl]pyridin-2-amine
CID 123822097
ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
CID 144887684
methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
CID 67388698
3-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 123430712
3-[1-(2-chloro-3,5-difluorophenyl)ethylsulfanyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 66549132
[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
CID 158968110
3-(3-methyl-1-benzofuran-2-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 67521585

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine?
The IUPAC name of 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine (CID 144556507) is 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine.
What is the SMILES notation for 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine?
The canonical SMILES for 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine is C=C(C)Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CCc1c(C)ccc(F)c1C.
What is the InChIKey of 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine?
The InChIKey is UMAWGSCFFXVTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5/c1-17(2)31-26-20(6-7-24-18(3)5-8-25(27)19(24)4)13-21(14-29-26)22-15-30-32(16-22)23-9-11-28-12-10-23/h5,8,13-16,23,28H,1,6-7,9-12H2,2-4H3,(H,29,31).
What are the key properties of 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine?
3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine has a molecular weight of 433.58 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoro-2,6-dimethylphenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-N-prop-1-en-2-ylpyridin-2-amine is sourced from PubChem (CID 144556507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).