tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine

C56H62F2N12O6 — CID 159007152

About tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine

tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine (PubChem CID 159007152) has the molecular formula C56H62F2N12O6 and a molecular weight of 1037.19 g/mol. Its IUPAC name is tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine.

Molecular Properties

• Compound Name: tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine
• PubChem CID: 159007152
• Molecular Formula: C56H62F2N12O6
• Molecular Weight: 1037.19 g/mol
• Exact Mass: 1036.49
• IUPAC Name: tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine
• SMILES: CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12.Nc1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12
• InChI: InChI=1S/C33H39FN6O5.C23H23FN6O/c1-32(2,3)44-30(41)40(31(42)45-33(4,5)6)29-28-24(10-11-26(37-28)22-8-7-9-23(34)18-22)25(19-35-29)27-20-39(21-36-27)13-12-38-14-16-43-17-15-38;24-17-3-1-2-16(12-17)20-5-4-18-19(13-26-23(25)22(18)28-20)21-14-30(15-27-21)7-6-29-8-10-31-11-9-29/h7-11,18-21H,12-17H2,1-6H3;1-5,12-15H,6-11H2,(H2,25,26)
• InChIKey: JSBIKAWPCXECIH-UHFFFAOYSA-N
• XLogP: 9.52
• TPSA: 194.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1037.19
LogP ≤ 5	9.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine?

The IUPAC name of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine (CID 159007152) is tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine.

What is the SMILES notation for tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine?

The canonical SMILES for tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12.Nc1ncc(-c2cn(CCN3CCOCC3)cn2)c2ccc(-c3cccc(F)c3)nc12.

What is the InChIKey of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine?

The InChIKey is JSBIKAWPCXECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39FN6O5.C23H23FN6O/c1-32(2,3)44-30(41)40(31(42)45-33(4,5)6)29-28-24(10-11-26(37-28)22-8-7-9-23(34)18-22)25(19-35-29)27-20-39(21-36-27)13-12-38-14-16-43-17-15-38;24-17-3-1-2-16(12-17)20-5-4-18-19(13-26-23(25)22(18)28-20)21-14-30(15-27-21)7-6-29-8-10-31-11-9-29/h7-11,18-21H,12-17H2,1-6H3;1-5,12-15H,6-11H2,(H2,25,26).

What are the key properties of tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine?

tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine has a molecular weight of 1037.19 g/mol, XLogP of 9.52, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;2-(3-fluorophenyl)-5-[1-(2-morpholin-4-ylethyl)imidazol-4-yl]-1,7-naphthyridin-8-amine is sourced from PubChem (CID 159007152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).