1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C21H21N7O4 — CID 118329029

IUPAC1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOCC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cn[nH]c5)nc4c32)CC1
InChIInChI=1S/C21H21N7O4/c1-32-11-17(29)27-6-4-13(5-7-27)28-19-14(20(30)26-21(28)31)10-22-16-3-2-15(25-18(16)19)12-8-23-24-9-12/h2-3,8-10,13H,4-7,11H2,1H3,(H,23,24)(H,26,30,31)
InChIKeyGEYWAGFEUURVAX-UHFFFAOYSA-N
MW435.44 g/mol
LogP0.83
Rot. Bonds4

About 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 118329029) has the molecular formula C21H21N7O4 and a molecular weight of 435.44 g/mol. Its IUPAC name is 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID118329029
Molecular FormulaC21H21N7O4
Molecular Weight435.44 g/mol
Exact Mass435.17
IUPAC Name1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESCOCC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cn[nH]c5)nc4c32)CC1
InChIInChI=1S/C21H21N7O4/c1-32-11-17(29)27-6-4-13(5-7-27)28-19-14(20(30)26-21(28)31)10-22-16-3-2-15(25-18(16)19)12-8-23-24-9-12/h2-3,8-10,13H,4-7,11H2,1H3,(H,23,24)(H,26,30,31)
InChIKeyGEYWAGFEUURVAX-UHFFFAOYSA-N
XLogP0.83
TPSA138.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077674
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-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-[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-(2-hydroxypropanoyl)piperidin-4-yl]-9-(2-methylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 123949458
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-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-[(2R)-2-nitrosopropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 90077671
9-[2-(hydroxymethyl)pyrimidin-5-yl]-1-piperidin-4-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 118329014
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
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
1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-isoindol-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1-methylpyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-9-thiophen-3-ylpyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 162047180

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 118329029) is 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is COCC(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cn[nH]c5)nc4c32)CC1.
What is the InChIKey of 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is GEYWAGFEUURVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O4/c1-32-11-17(29)27-6-4-13(5-7-27)28-19-14(20(30)26-21(28)31)10-22-16-3-2-15(25-18(16)19)12-8-23-24-9-12/h2-3,8-10,13H,4-7,11H2,1H3,(H,23,24)(H,26,30,31).
What are the key properties of 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 435.44 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyacetyl)piperidin-4-yl]-9-(1H-pyrazol-4-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 118329029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).