4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile

C26H33FN8 — CID 89442800

IUPAC4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCc1cc(-c2cn(CCN(C)C(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F
InChIInChI=1S/C26H33FN8/c1-17(2)33(4)11-12-35-15-23(20-5-6-22(27)18(3)13-20)32-25(35)19-7-9-34(10-8-19)26-21(14-28)24(29)30-16-31-26/h5-6,13,15-17,19H,7-12H2,1-4H3,(H2,29,30,31)
InChIKeyJKACOTYFJGVPGL-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.97
Rot. Bonds7

About 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile

4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile (PubChem CID 89442800) has the molecular formula C26H33FN8 and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
PubChem CID89442800
Molecular FormulaC26H33FN8
Molecular Weight476.60 g/mol
Exact Mass476.28
IUPAC Name4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
SMILESCc1cc(-c2cn(CCN(C)C(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F
InChIInChI=1S/C26H33FN8/c1-17(2)33(4)11-12-35-15-23(20-5-6-22(27)18(3)13-20)32-25(35)19-7-9-34(10-8-19)26-21(14-28)24(29)30-16-31-26/h5-6,13,15-17,19H,7-12H2,1-4H3,(H2,29,30,31)
InChIKeyJKACOTYFJGVPGL-UHFFFAOYSA-N
XLogP3.97
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile (CID 89442800) is 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile is Cc1cc(-c2cn(CCN(C)C(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F.
What is the InChIKey of 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
The InChIKey is JKACOTYFJGVPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN8/c1-17(2)33(4)11-12-35-15-23(20-5-6-22(27)18(3)13-20)32-25(35)19-7-9-34(10-8-19)26-21(14-28)24(29)30-16-31-26/h5-6,13,15-17,19H,7-12H2,1-4H3,(H2,29,30,31).
What are the key properties of 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile?
4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile has a molecular weight of 476.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 89442800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).