6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile

C26H20F2N6O — CID 169103093

IUPAC6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile
SMILESCc1noc2cc(-c3c(C#N)cc(N4CCC(N)CC4)nc3-c3ccc(C#N)c(F)c3)c(F)cc12
InChIInChI=1S/C26H20F2N6O/c1-14-19-10-22(28)20(11-23(19)35-33-14)25-17(13-30)9-24(34-6-4-18(31)5-7-34)32-26(25)15-2-3-16(12-29)21(27)8-15/h2-3,8-11,18H,4-7,31H2,1H3
InChIKeyWVPAUQGNHGGZFP-UHFFFAOYSA-N
MW470.48 g/mol
LogP4.81
Rot. Bonds3

About 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile

6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile (PubChem CID 169103093) has the molecular formula C26H20F2N6O and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile
PubChem CID169103093
Molecular FormulaC26H20F2N6O
Molecular Weight470.48 g/mol
Exact Mass470.17
IUPAC Name6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile
SMILESCc1noc2cc(-c3c(C#N)cc(N4CCC(N)CC4)nc3-c3ccc(C#N)c(F)c3)c(F)cc12
InChIInChI=1S/C26H20F2N6O/c1-14-19-10-22(28)20(11-23(19)35-33-14)25-17(13-30)9-24(34-6-4-18(31)5-7-34)32-26(25)15-2-3-16(12-29)21(27)8-15/h2-3,8-11,18H,4-7,31H2,1H3
InChIKeyWVPAUQGNHGGZFP-UHFFFAOYSA-N
XLogP4.81
TPSA115.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile?
The IUPAC name of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile (CID 169103093) is 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile?
The canonical SMILES for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile is Cc1noc2cc(-c3c(C#N)cc(N4CCC(N)CC4)nc3-c3ccc(C#N)c(F)c3)c(F)cc12.
What is the InChIKey of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile?
The InChIKey is WVPAUQGNHGGZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N6O/c1-14-19-10-22(28)20(11-23(19)35-33-14)25-17(13-30)9-24(34-6-4-18(31)5-7-34)32-26(25)15-2-3-16(12-29)21(27)8-15/h2-3,8-11,18H,4-7,31H2,1H3.
What are the key properties of 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile?
6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile has a molecular weight of 470.48 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminopiperidin-1-yl)-2-(4-cyano-3-fluorophenyl)-3-(5-fluoro-3-methyl-1,2-benzoxazol-6-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 169103093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).