1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C24H25N7O3 — CID 129089229

IUPAC1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESC=C(CC)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(OC)nc5)nc4c32)CC1
InChIInChI=1S/C24H25N7O3/c1-4-14(2)30-9-7-16(8-10-30)31-21-17(22(32)29-24(31)33)13-25-19-6-5-18(28-20(19)21)15-11-26-23(34-3)27-12-15/h5-6,11-13,16H,2,4,7-10H2,1,3H3,(H,29,32,33)
InChIKeyORAHCMNBNBOEFD-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.66
Rot. Bonds5

About 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 129089229) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID129089229
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESC=C(CC)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(OC)nc5)nc4c32)CC1
InChIInChI=1S/C24H25N7O3/c1-4-14(2)30-9-7-16(8-10-30)31-21-17(22(32)29-24(31)33)13-25-19-6-5-18(28-20(19)21)15-11-26-23(34-3)27-12-15/h5-6,11-13,16H,2,4,7-10H2,1,3H3,(H,29,32,33)
InChIKeyORAHCMNBNBOEFD-UHFFFAOYSA-N
XLogP2.66
TPSA118.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 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) is 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is C=C(CC)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(OC)nc5)nc4c32)CC1.
What is the InChIKey of 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is ORAHCMNBNBOEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-4-14(2)30-9-7-16(8-10-30)31-21-17(22(32)29-24(31)33)13-25-19-6-5-18(28-20(19)21)15-11-26-23(34-3)27-12-15/h5-6,11-13,16H,2,4,7-10H2,1,3H3,(H,29,32,33).
What are the key properties of 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 459.51 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-1-en-2-ylpiperidin-4-yl)-9-(2-methoxypyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 129089229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).