2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C22H24FN5O2 — CID 118483088

IUPAC2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1ccc(-c2c(-c3ccncc3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F
InChIInChI=1S/C22H24FN5O2/c1-27-21(29)19(15-3-4-18(30-2)17(23)13-15)20(14-5-9-25-10-6-14)26-22(27)28-11-7-16(24)8-12-28/h3-6,9-10,13,16H,7-8,11-12,24H2,1-2H3
InChIKeyNOCGKRLCWGMWLY-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 118483088) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID118483088
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCOc1ccc(-c2c(-c3ccncc3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F
InChIInChI=1S/C22H24FN5O2/c1-27-21(29)19(15-3-4-18(30-2)17(23)13-15)20(14-5-9-25-10-6-14)26-22(27)28-11-7-16(24)8-12-28/h3-6,9-10,13,16H,7-8,11-12,24H2,1-2H3
InChIKeyNOCGKRLCWGMWLY-UHFFFAOYSA-N
XLogP2.58
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 118483088) is 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is COc1ccc(-c2c(-c3ccncc3)nc(N3CCC(N)CC3)n(C)c2=O)cc1F.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is NOCGKRLCWGMWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-27-21(29)19(15-3-4-18(30-2)17(23)13-15)20(14-5-9-25-10-6-14)26-22(27)28-11-7-16(24)8-12-28/h3-6,9-10,13,16H,7-8,11-12,24H2,1-2H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 409.47 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 118483088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).