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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine

C100H100F4N20O10 — CID 165049557

IUPACtert-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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c3c[nH]c(=O)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3c[nH]c(=O)cc23)n(C)n1.Cc1cc2c(-c3cc(C)nn3C)cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c2cn1.Cc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C28H30FN5O3.C27H28FN5O4.C23H22FN5O.C22H20FN5O2/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(32(5)31-15)18-12-30-25(19-13-29-24(34)11-17(18)19)33(26(35)37-27(2,3)4)14-20-16-8-9-36-23(16)7-6-21(20)28;1-13-8-16-18(21-9-14(2)28-29(21)3)11-27-23(19(16)12-25-13)26-10-17-15-6-7-30-22(15)5-4-20(17)24;1-12-7-19(28(2)27-12)16-10-26-22(17-11-24-21(29)8-14(16)17)25-9-15-13-5-6-30-20(13)4-3-18(15)23/h7-8,11-14H,9-10,15H2,1-6H3;6-7,10-13H,8-9,14H2,1-5H3,(H,29,34);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyPLFJPVDYPVHXNU-UHFFFAOYSA-N
MW1818.02 g/mol
LogP17.96
Rot. Bonds16

About 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine

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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine (PubChem CID 165049557) has the molecular formula C100H100F4N20O10 and a molecular weight of 1818.02 g/mol. Its IUPAC name is 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Nametert-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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine
PubChem CID165049557
Molecular FormulaC100H100F4N20O10
Molecular Weight1818.02 g/mol
Exact Mass1816.79
IUPAC Nametert-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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c3c[nH]c(=O)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3c[nH]c(=O)cc23)n(C)n1.Cc1cc2c(-c3cc(C)nn3C)cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c2cn1.Cc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1
InChIInChI=1S/C28H30FN5O3.C27H28FN5O4.C23H22FN5O.C22H20FN5O2/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(32(5)31-15)18-12-30-25(19-13-29-24(34)11-17(18)19)33(26(35)37-27(2,3)4)14-20-16-8-9-36-23(16)7-6-21(20)28;1-13-8-16-18(21-9-14(2)28-29(21)3)11-27-23(19(16)12-25-13)26-10-17-15-6-7-30-22(15)5-4-20(17)24;1-12-7-19(28(2)27-12)16-10-26-22(17-11-24-21(29)8-14(16)17)25-9-15-13-5-6-30-20(13)4-3-18(15)23/h7-8,11-14H,9-10,15H2,1-6H3;6-7,10-13H,8-9,14H2,1-5H3,(H,29,34);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyPLFJPVDYPVHXNU-UHFFFAOYSA-N
XLogP17.96
TPSA334.40 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001818.02
LogP ≤ 517.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine?
The IUPAC name of 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine (CID 165049557) is 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine.
What is the SMILES notation for 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine?
The canonical SMILES for 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine is Cc1cc(-c2cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c3c[nH]c(=O)cc23)n(C)n1.Cc1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)c3c[nH]c(=O)cc23)n(C)n1.Cc1cc2c(-c3cc(C)nn3C)cnc(N(Cc3c(F)ccc4c3CCO4)C(=O)OC(C)(C)C)c2cn1.Cc1cc2c(-c3cc(C)nn3C)cnc(NCc3c(F)ccc4c3CCO4)c2cn1.
What is the InChIKey of 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine?
The InChIKey is PLFJPVDYPVHXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3.C27H28FN5O4.C23H22FN5O.C22H20FN5O2/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(32(5)31-15)18-12-30-25(19-13-29-24(34)11-17(18)19)33(26(35)37-27(2,3)4)14-20-16-8-9-36-23(16)7-6-21(20)28;1-13-8-16-18(21-9-14(2)28-29(21)3)11-27-23(19(16)12-25-13)26-10-17-15-6-7-30-22(15)5-4-20(17)24;1-12-7-19(28(2)27-12)16-10-26-22(17-11-24-21(29)8-14(16)17)25-9-15-13-5-6-30-20(13)4-3-18(15)23/h7-8,11-14H,9-10,15H2,1-6H3;6-7,10-13H,8-9,14H2,1-5H3,(H,29,34);4-5,8-9,11-12H,6-7,10H2,1-3H3,(H,26,27);3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine?
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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine has a molecular weight of 1818.02 g/mol, XLogP of 17.96, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 N-[4-(2,5-dimethylpyrazol-3-yl)-6-oxo-7H-2,7-naphthyridin-1-yl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]carbamate;5-(2,5-dimethylpyrazol-3-yl)-8-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-2H-2,7-naphthyridin-3-one;4-(2,5-dimethylpyrazol-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-6-methyl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 165049557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).