chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

C105H121Cl3MnN13O18P — CID 161202743

About chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid (PubChem CID 161202743) has the molecular formula C105H121Cl3MnN13O18P and a molecular weight of 2045.47 g/mol. Its IUPAC name is chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid.

Molecular Properties

• Compound Name: chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
• PubChem CID: 161202743
• Molecular Formula: C105H121Cl3MnN13O18P
• Molecular Weight: 2045.47 g/mol
• Exact Mass: 2042.71
• IUPAC Name: chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
• SMILES: CCOC(=O)CC(/C=C/CCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1.COP(=O)(CC(=O)CCCCc1ccc2c(n1)NCCC2)OC.ClC(Cl)Cl.O=C(/C=C/c1cnc2occc2c1)CCCCc1ccc2c(n1)NCCC2.O=C(O)CC(CCCCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1.O=Cc1cnc2occc2c1.O=[Mn]=O.OCc1cnc2occc2c1
• InChI: InChI=1S/C26H31N3O3.C24H29N3O3.C22H23N3O2.C16H25N2O4P.C8H7NO2.C8H5NO2.CHCl3.Mn.2O/c1-2-31-24(30)17-20(22-16-21-13-15-32-26(21)28-18-22)8-5-3-4-6-10-23-12-11-19-9-7-14-27-25(19)29-23;28-22(29)15-18(20-14-19-11-13-30-24(19)26-16-20)6-3-1-2-4-8-21-10-9-17-7-5-12-25-23(17)27-21;26-20(10-7-16-14-18-11-13-27-22(18)24-15-16)6-2-1-5-19-9-8-17-4-3-12-23-21(17)25-19;1-21-23(20,22-2)12-15(19)8-4-3-7-14-10-9-13-6-5-11-17-16(13)18-14;2*10-5-6-3-7-1-2-11-8(7)9-4-6;2-1(3)4;;;/h5,8,11-13,15-16,18,20H,2-4,6-7,9-10,14,17H2,1H3,(H,27,29);9-11,13-14,16,18H,1-8,12,15H2,(H,25,27)(H,28,29);7-11,13-15H,1-6,12H2,(H,23,25);9-10H,3-8,11-12H2,1-2H3,(H,17,18);1-4,10H,5H2;1-5H;1H;;;/b8-5+;;10-7+
• InChIKey: QECZVEAUVKDWIC-PLROVGECSA-N
• XLogP: 23.41
• TPSA: 434.54 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.47
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?

The IUPAC name of chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid (CID 161202743) is chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid.

What is the SMILES notation for chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?

The canonical SMILES for chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid is CCOC(=O)CC(/C=C/CCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1.COP(=O)(CC(=O)CCCCc1ccc2c(n1)NCCC2)OC.ClC(Cl)Cl.O=C(/C=C/c1cnc2occc2c1)CCCCc1ccc2c(n1)NCCC2.O=C(O)CC(CCCCCCc1ccc2c(n1)NCCC2)c1cnc2occc2c1.O=Cc1cnc2occc2c1.O=[Mn]=O.OCc1cnc2occc2c1.

What is the InChIKey of chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?

The InChIKey is QECZVEAUVKDWIC-PLROVGECSA-N. The full InChI is InChI=1S/C26H31N3O3.C24H29N3O3.C22H23N3O2.C16H25N2O4P.C8H7NO2.C8H5NO2.CHCl3.Mn.2O/c1-2-31-24(30)17-20(22-16-21-13-15-32-26(21)28-18-22)8-5-3-4-6-10-23-12-11-19-9-7-14-27-25(19)29-23;28-22(29)15-18(20-14-19-11-13-30-24(19)26-16-20)6-3-1-2-4-8-21-10-9-17-7-5-12-25-23(17)27-21;26-20(10-7-16-14-18-11-13-27-22(18)24-15-16)6-2-1-5-19-9-8-17-4-3-12-23-21(17)25-19;1-21-23(20,22-2)12-15(19)8-4-3-7-14-10-9-13-6-5-11-17-16(13)18-14;2*10-5-6-3-7-1-2-11-8(7)9-4-6;2-1(3)4;;;/h5,8,11-13,15-16,18,20H,2-4,6-7,9-10,14,17H2,1H3,(H,27,29);9-11,13-14,16,18H,1-8,12,15H2,(H,25,27)(H,28,29);7-11,13-15H,1-6,12H2,(H,23,25);9-10H,3-8,11-12H2,1-2H3,(H,17,18);1-4,10H,5H2;1-5H;1H;;;/b8-5+;;10-7+;;;;;;;.

What are the key properties of chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid?

chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid has a molecular weight of 2045.47 g/mol, XLogP of 23.41, 38 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for chloroform;1-dimethoxyphosphoryl-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hexan-2-one;dioxomanganese;ethyl (E)-3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)non-4-enoate;furo[2,3-b]pyridine-5-carbaldehyde;furo[2,3-b]pyridin-5-ylmethanol;(E)-1-furo[2,3-b]pyridin-5-yl-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hept-1-en-3-one;3-furo[2,3-b]pyridin-5-yl-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid is sourced from PubChem (CID 161202743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).