5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile

C26H23FN6O — CID 168865905

IUPAC5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2ccc3nc(N4CCC(N)CC4)nc(-c4ccc(C#N)nc4)c3c2)cc1F
InChIInChI=1S/C26H23FN6O/c1-34-24-7-4-17(13-22(24)27)16-3-6-23-21(12-16)25(18-2-5-20(14-28)30-15-18)32-26(31-23)33-10-8-19(29)9-11-33/h2-7,12-13,15,19H,8-11,29H2,1H3
InChIKeyAEWAPSLQYMVYKL-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.31
Rot. Bonds4

About 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile

5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile (PubChem CID 168865905) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile
PubChem CID168865905
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2ccc3nc(N4CCC(N)CC4)nc(-c4ccc(C#N)nc4)c3c2)cc1F
InChIInChI=1S/C26H23FN6O/c1-34-24-7-4-17(13-22(24)27)16-3-6-23-21(12-16)25(18-2-5-20(14-28)30-15-18)32-26(31-23)33-10-8-19(29)9-11-33/h2-7,12-13,15,19H,8-11,29H2,1H3
InChIKeyAEWAPSLQYMVYKL-UHFFFAOYSA-N
XLogP4.31
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile (CID 168865905) is 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile is COc1ccc(-c2ccc3nc(N4CCC(N)CC4)nc(-c4ccc(C#N)nc4)c3c2)cc1F.
What is the InChIKey of 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile?
The InChIKey is AEWAPSLQYMVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-34-24-7-4-17(13-22(24)27)16-3-6-23-21(12-16)25(18-2-5-20(14-28)30-15-18)32-26(31-23)33-10-8-19(29)9-11-33/h2-7,12-13,15,19H,8-11,29H2,1H3.
What are the key properties of 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile?
5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile has a molecular weight of 454.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-aminopiperidin-1-yl)-6-(3-fluoro-4-methoxyphenyl)quinazolin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 168865905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).