ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate

C34H40F2N6O6 — CID 170338414

About ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate

ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate (PubChem CID 170338414) has the molecular formula C34H40F2N6O6 and a molecular weight of 666.73 g/mol. Its IUPAC name is ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate.

Molecular Properties

• Compound Name: ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate
• PubChem CID: 170338414
• Molecular Formula: C34H40F2N6O6
• Molecular Weight: 666.73 g/mol
• Exact Mass: 666.30
• IUPAC Name: ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate
• SMILES: CCOC(=O)C(F)Oc1cccc2cc(-c3nc4cc5c(nc4n3C)CCN(C[C@@H](CF)NC(=O)OC(C)(C)C)C5=O)n(CC3CC3)c12
• InChI: InChI=1S/C34H40F2N6O6/c1-6-46-32(44)28(36)47-26-9-7-8-20-14-25(42(27(20)26)17-19-10-11-19)30-39-24-15-22-23(38-29(24)40(30)5)12-13-41(31(22)43)18-21(16-35)37-33(45)48-34(2,3)4/h7-9,14-15,19,21,28H,6,10-13,16-18H2,1-5H3,(H,37,45)/t21-,28?/m1/s1
• InChIKey: GJYQBKJHMBCXRM-IHKRANBOSA-N
• XLogP: 5.10
• TPSA: 129.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.73
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate?

The IUPAC name of ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate (CID 170338414) is ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate.

What is the SMILES notation for ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate?

The canonical SMILES for ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate is CCOC(=O)C(F)Oc1cccc2cc(-c3nc4cc5c(nc4n3C)CCN(C[C@@H](CF)NC(=O)OC(C)(C)C)C5=O)n(CC3CC3)c12.

What is the InChIKey of ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate?

The InChIKey is GJYQBKJHMBCXRM-IHKRANBOSA-N. The full InChI is InChI=1S/C34H40F2N6O6/c1-6-46-32(44)28(36)47-26-9-7-8-20-14-25(42(27(20)26)17-19-10-11-19)30-39-24-15-22-23(38-29(24)40(30)5)12-13-41(31(22)43)18-21(16-35)37-33(45)48-34(2,3)4/h7-9,14-15,19,21,28H,6,10-13,16-18H2,1-5H3,(H,37,45)/t21-,28?/m1/s1.

What are the key properties of ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate?

ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate has a molecular weight of 666.73 g/mol, XLogP of 5.10, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[1-(cyclopropylmethyl)-2-[7-[(2S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-3-methyl-8-oxo-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-2-yl]indol-7-yl]oxy-2-fluoroacetate is sourced from PubChem (CID 170338414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).