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

C26H28N8O5 — CID 90077587

IUPAC1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESC[C@@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(N6CCOCC6)nc5)nc4c32)CC1
InChIInChI=1S/C26H28N8O5/c1-15(35)24(37)32-6-4-17(5-7-32)34-22-18(23(36)31-26(34)38)14-27-20-3-2-19(30-21(20)22)16-12-28-25(29-13-16)33-8-10-39-11-9-33/h2-3,12-15,17,35H,4-11H2,1H3,(H,31,36,38)/t15-/m1/s1
InChIKeyDHGVUIXOKOFAOQ-OAHLLOKOSA-N
MW532.56 g/mol
LogP0.47
Rot. Bonds4

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

1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 90077587) has the molecular formula C26H28N8O5 and a molecular weight of 532.56 g/mol. Its IUPAC name is 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID90077587
Molecular FormulaC26H28N8O5
Molecular Weight532.56 g/mol
Exact Mass532.22
IUPAC Name1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESC[C@@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(N6CCOCC6)nc5)nc4c32)CC1
InChIInChI=1S/C26H28N8O5/c1-15(35)24(37)32-6-4-17(5-7-32)34-22-18(23(36)31-26(34)38)14-27-20-3-2-19(30-21(20)22)16-12-28-25(29-13-16)33-8-10-39-11-9-33/h2-3,12-15,17,35H,4-11H2,1H3,(H,31,36,38)/t15-/m1/s1
InChIKeyDHGVUIXOKOFAOQ-OAHLLOKOSA-N
XLogP0.47
TPSA159.43 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.56
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 90077587) is 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is C[C@@H](O)C(=O)N1CCC(n2c(=O)[nH]c(=O)c3cnc4ccc(-c5cnc(N6CCOCC6)nc5)nc4c32)CC1.
What is the InChIKey of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is DHGVUIXOKOFAOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H28N8O5/c1-15(35)24(37)32-6-4-17(5-7-32)34-22-18(23(36)31-26(34)38)14-27-20-3-2-19(30-21(20)22)16-12-28-25(29-13-16)33-8-10-39-11-9-33/h2-3,12-15,17,35H,4-11H2,1H3,(H,31,36,38)/t15-/m1/s1.
What are the key properties of 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 532.56 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl]-9-(2-morpholin-4-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 90077587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).