1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C23H23N7O4 — CID 123949458

IUPAC1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)C(C)O)CC5)c4c3n2)cn1
InChIInChI=1S/C23H23N7O4/c1-12(31)22(33)29-7-5-15(6-8-29)30-20-16(21(32)28-23(30)34)11-26-18-4-3-17(27-19(18)20)14-9-24-13(2)25-10-14/h3-4,9-12,15,31H,5-8H2,1-2H3,(H,28,32,34)
InChIKeyFQKHMTUHZLWYBV-UHFFFAOYSA-N
MW461.48 g/mol
LogP0.94
Rot. Bonds3

About 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 123949458) has the molecular formula C23H23N7O4 and a molecular weight of 461.48 g/mol. Its IUPAC name is 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID123949458
Molecular FormulaC23H23N7O4
Molecular Weight461.48 g/mol
Exact Mass461.18
IUPAC Name1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)C(C)O)CC5)c4c3n2)cn1
InChIInChI=1S/C23H23N7O4/c1-12(31)22(33)29-7-5-15(6-8-29)30-20-16(21(32)28-23(30)34)11-26-18-4-3-17(27-19(18)20)14-9-24-13(2)25-10-14/h3-4,9-12,15,31H,5-8H2,1-2H3,(H,28,32,34)
InChIKeyFQKHMTUHZLWYBV-UHFFFAOYSA-N
XLogP0.94
TPSA146.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329048
9-[6-(hydroxymethyl)-3-pyridinyl]-1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077663
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazolo[3,4-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329924
1-[1-(3-methoxyprop-1-en-2-yl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088451
1-[1-[(2R)-2-nitrosopropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077671
1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089229
9-(2-aminopyrimidin-5-yl)-1-[1-(2-methylpropanimidoyl)piperidin-4-yl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089218
1-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129089251
1-[1-(2-methylpropanethioyl)piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 129088585
1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329029
N-[5-(2,4-dioxo-1-piperidin-4-ylpyrimido[5,4-h][1,5]naphthyridin-9-yl)pyrimidin-2-yl]acetamide
CID 118329877
1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077787

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 123949458) is 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is Cc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(C5CCN(C(=O)C(C)O)CC5)c4c3n2)cn1.
What is the InChIKey of 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is FQKHMTUHZLWYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O4/c1-12(31)22(33)29-7-5-15(6-8-29)30-20-16(21(32)28-23(30)34)11-26-18-4-3-17(27-19(18)20)14-9-24-13(2)25-10-14/h3-4,9-12,15,31H,5-8H2,1-2H3,(H,28,32,34).
What are the key properties of 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 461.48 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 123949458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).