2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde

C35H36N6O5 — CID 90391220

IUPAC2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
SMILESCn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C35H36N6O5/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40/h5-9,16-21H,10-15H2,1-4H3,(H,37,38)
InChIKeyROFZQRARLIJIRD-UHFFFAOYSA-N
MW620.71 g/mol
LogP4.37
Rot. Bonds6

About 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde

2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde (PubChem CID 90391220) has the molecular formula C35H36N6O5 and a molecular weight of 620.71 g/mol. Its IUPAC name is 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde.

Molecular Properties

Compound Name2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
PubChem CID90391220
Molecular FormulaC35H36N6O5
Molecular Weight620.71 g/mol
Exact Mass620.27
IUPAC Name2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde
SMILESCn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C35H36N6O5/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40/h5-9,16-21H,10-15H2,1-4H3,(H,37,38)
InChIKeyROFZQRARLIJIRD-UHFFFAOYSA-N
XLogP4.37
TPSA126.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500620.71
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?
The IUPAC name of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde (CID 90391220) is 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde.
What is the SMILES notation for 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?
The canonical SMILES for 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde is Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.
What is the InChIKey of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?
The InChIKey is ROFZQRARLIJIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O5/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40/h5-9,16-21H,10-15H2,1-4H3,(H,37,38).
What are the key properties of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde?
2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde has a molecular weight of 620.71 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde is sourced from PubChem (CID 90391220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).