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

C70H72Br2N12O10 — CID 158081257

About 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 158081257) has the molecular formula C70H72Br2N12O10 and a molecular weight of 1401.23 g/mol. Its IUPAC name is 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 Name: 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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: 158081257
• Molecular Formula: C70H72Br2N12O10
• Molecular Weight: 1401.23 g/mol
• Exact Mass: 1398.39
• IUPAC Name: 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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
• SMILES: CC(C)(C)c1cc2c(cn1)C(=O)N(c1cccc(Br)c1C=O)CC2.Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1cc(Br)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
• InChI: InChI=1S/C35H36N6O5.C19H19BrN2O2.C16H17BrN4O3/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;1-19(2,3)17-9-12-7-8-22(18(24)13(12)10-21-17)16-6-4-5-15(20)14(16)11-23;1-20-10-12(17)8-13(16(20)23)19-14-3-2-11(9-18-14)15(22)21-4-6-24-7-5-21/h5-9,16-21H,10-15H2,1-4H3,(H,37,38);4-6,9-11H,7-8H2,1-3H3;2-3,8-10H,4-7H2,1H3,(H,18,19)
• InChIKey: FMZCXUUFGSYKAM-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 253.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.23
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 158081257) is 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 CC(C)(C)c1cc2c(cn1)C(=O)N(c1cccc(Br)c1C=O)CC2.Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1cc(Br)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.

What is the InChIKey of 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 FMZCXUUFGSYKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O5.C19H19BrN2O2.C16H17BrN4O3/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;1-19(2,3)17-9-12-7-8-22(18(24)13(12)10-21-17)16-6-4-5-15(20)14(16)11-23;1-20-10-12(17)8-13(16(20)23)19-14-3-2-11(9-18-14)15(22)21-4-6-24-7-5-21/h5-9,16-21H,10-15H2,1-4H3,(H,37,38);4-6,9-11H,7-8H2,1-3H3;2-3,8-10H,4-7H2,1H3,(H,18,19).

What are the key properties of 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 1401.23 g/mol, XLogP of 10.29, 11 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)benzaldehyde;5-bromo-1-methyl-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridin-2-one;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 158081257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).