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

C68H70BrClN14O10 — CID 159409304

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

2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one (PubChem CID 159409304) has the molecular formula C68H70BrClN14O10 and a molecular weight of 1358.75 g/mol. Its IUPAC name is 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one.

Molecular Properties

• Compound Name: 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one
• PubChem CID: 159409304
• Molecular Formula: C68H70BrClN14O10
• Molecular Weight: 1358.75 g/mol
• Exact Mass: 1356.43
• IUPAC Name: 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one
• SMILES: CC(C)(C)c1cc2c(cn1)C(=O)N(c1cccc(Br)c1C=O)CC2.Cn1nc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1nc(Cl)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
• InChI: InChI=1S/C34H35N7O5.C19H19BrN2O2.C15H16ClN5O3/c1-34(2,3)29-16-21-10-11-41(32(44)24(21)19-35-29)28-7-5-6-23(25(28)20-42)26-17-27(33(45)39(4)38-26)37-30-9-8-22(18-36-30)31(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;1-20-15(23)11(8-12(16)19-20)18-13-3-2-10(9-17-13)14(22)21-4-6-24-7-5-21/h5-9,16-20H,10-15H2,1-4H3,(H,36,37);4-6,9-11H,7-8H2,1-3H3;2-3,8-9H,4-7H2,1H3,(H,17,18)
• InChIKey: LOJHLZMIXHADAE-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 279.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.75
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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;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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one?

The IUPAC name of 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one (CID 159409304) is 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one.

What is the SMILES notation for 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one?

The canonical SMILES for 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one is CC(C)(C)c1cc2c(cn1)C(=O)N(c1cccc(Br)c1C=O)CC2.Cn1nc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.Cn1nc(Cl)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;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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one?

The InChIKey is LOJHLZMIXHADAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O5.C19H19BrN2O2.C15H16ClN5O3/c1-34(2,3)29-16-21-10-11-41(32(44)24(21)19-35-29)28-7-5-6-23(25(28)20-42)26-17-27(33(45)39(4)38-26)37-30-9-8-22(18-36-30)31(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;1-20-15(23)11(8-12(16)19-20)18-13-3-2-10(9-17-13)14(22)21-4-6-24-7-5-21/h5-9,16-20H,10-15H2,1-4H3,(H,36,37);4-6,9-11H,7-8H2,1-3H3;2-3,8-9H,4-7H2,1H3,(H,17,18).

What are the key properties of 2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one?

2-bromo-6-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one has a molecular weight of 1358.75 g/mol, XLogP of 8.97, 11 rotatable bonds, 2 hydrogen bond donors, and 20 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;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-oxopyridazin-3-yl]benzaldehyde;6-chloro-2-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]pyridazin-3-one is sourced from PubChem (CID 159409304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).