9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C26H19F3N6O3 — CID 73438266

IUPAC9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(N4CCOCC4)nc3)nc12
InChIInChI=1S/C26H19F3N6O3/c27-26(28,29)16-2-1-3-17(12-16)35-23-18(24(36)33-25(35)37)14-30-20-6-5-19(32-22(20)23)15-4-7-21(31-13-15)34-8-10-38-11-9-34/h1-7,12-14H,8-11H2,(H,33,36,37)
InChIKeyGDWVSQXONCODPN-UHFFFAOYSA-N
MW520.47 g/mol
LogP3.54
Rot. Bonds3

About 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 73438266) has the molecular formula C26H19F3N6O3 and a molecular weight of 520.47 g/mol. Its IUPAC name is 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

Compound Name9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
PubChem CID73438266
Molecular FormulaC26H19F3N6O3
Molecular Weight520.47 g/mol
Exact Mass520.15
IUPAC Name9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(N4CCOCC4)nc3)nc12
InChIInChI=1S/C26H19F3N6O3/c27-26(28,29)16-2-1-3-17(12-16)35-23-18(24(36)33-25(35)37)14-30-20-6-5-19(32-22(20)23)15-4-7-21(31-13-15)34-8-10-38-11-9-34/h1-7,12-14H,8-11H2,(H,33,36,37)
InChIKeyGDWVSQXONCODPN-UHFFFAOYSA-N
XLogP3.54
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The IUPAC name of 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 73438266) is 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.
What is the SMILES notation for 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The canonical SMILES for 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(N4CCOCC4)nc3)nc12.
What is the InChIKey of 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
The InChIKey is GDWVSQXONCODPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O3/c27-26(28,29)16-2-1-3-17(12-16)35-23-18(24(36)33-25(35)37)14-30-20-6-5-19(32-22(20)23)15-4-7-21(31-13-15)34-8-10-38-11-9-34/h1-7,12-14H,8-11H2,(H,33,36,37).
What are the key properties of 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?
9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 520.47 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 73438266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).