tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine

C114H126Cl2F4N22O15 — CID 165083573

About tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine

tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine (PubChem CID 165083573) has the molecular formula C114H126Cl2F4N22O15 and a molecular weight of 2191.30 g/mol. Its IUPAC name is tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine.

Molecular Properties

• Compound Name: tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine
• PubChem CID: 165083573
• Molecular Formula: C114H126Cl2F4N22O15
• Molecular Weight: 2191.30 g/mol
• Exact Mass: 2188.91
• IUPAC Name: tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(N)=O.Cc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c3cnc(Cl)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(Cl)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(N)cc23)n(C)n1.Cc1cc2c(-c3cc(C)nn3C)cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c2cn1
• InChI: InChI=1S/C28H30FN5O3.C27H27ClFN5O3.C22H19ClFN5O.C22H21FN6O.C10H18O5.C5H11NO2/c1-16-11-19-20(24-12-17(2)32-33(24)6)13-31-26(21(19)14-30-16)34(27(35)37-28(3,4)5)15-22-18-9-10-36-25(18)8-7-23(22)29;1-15-10-22(33(5)32-15)18-12-31-25(19-13-30-24(28)11-17(18)19)34(26(35)37-27(2,3)4)14-20-16-8-9-36-23(16)7-6-21(20)29;1-12-7-19(29(2)28-12)16-10-27-22(17-11-25-21(23)8-14(16)17)26-9-15-13-5-6-30-20(13)4-3-18(15)24;1-12-7-19(29(2)28-12)16-10-27-22(17-11-25-21(24)8-14(16)17)26-9-15-13-5-6-30-20(13)4-3-18(15)23;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5(2,3)8-4(6)7/h7-8,11-14H,9-10,15H2,1-6H3;6-7,10-13H,8-9,14H2,1-5H3;3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,24,25)(H,26,27);1-6H3;1-3H3,(H2,6,7)
• InChIKey: VNIPMWOUOWJHKP-UHFFFAOYSA-N
• XLogP: 23.71
• TPSA: 434.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.30
LogP ≤ 5	23.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine?

The IUPAC name of tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine (CID 165083573) is tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine.

What is the SMILES notation for tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine?

The canonical SMILES for tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CC(C)(C)OC(N)=O.Cc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c3cnc(Cl)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(Cl)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3cnc(N)cc23)n(C)n1.Cc1cc2c(-c3cc(C)nn3C)cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c2cn1.

What is the InChIKey of tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine?

The InChIKey is VNIPMWOUOWJHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3.C27H27ClFN5O3.C22H19ClFN5O.C22H21FN6O.C10H18O5.C5H11NO2/c1-16-11-19-20(24-12-17(2)32-33(24)6)13-31-26(21(19)14-30-16)34(27(35)37-28(3,4)5)15-22-18-9-10-36-25(18)8-7-23(22)29;1-15-10-22(33(5)32-15)18-12-31-25(19-13-30-24(28)11-17(18)19)34(26(35)37-27(2,3)4)14-20-16-8-9-36-23(16)7-6-21(20)29;1-12-7-19(29(2)28-12)16-10-27-22(17-11-25-21(23)8-14(16)17)26-9-15-13-5-6-30-20(13)4-3-18(15)24;1-12-7-19(29(2)28-12)16-10-27-22(17-11-25-21(24)8-14(16)17)26-9-15-13-5-6-30-20(13)4-3-18(15)23;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-5(2,3)8-4(6)7/h7-8,11-14H,9-10,15H2,1-6H3;6-7,10-13H,8-9,14H2,1-5H3;3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H2,24,25)(H,26,27);1-6H3;1-3H3,(H2,6,7).

What are the key properties of tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine?

tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine has a molecular weight of 2191.30 g/mol, XLogP of 23.71, 16 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl carbamate;tert-butyl N-[6-chloro-4-(2,5-dimethylpyrazol-3-yl)-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl N-[4-(2,5-dimethylpyrazol-3-yl)-6-methyl-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;6-chloro-4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridin-1-amine;4-(2,5-dimethylpyrazol-3-yl)-1-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 165083573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).