6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide

C150H149Cl6F6N37O22S4 — CID 158708648

IUPAC6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide
SMILESCN1c2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(F)C2)NC1S(C)(=O)=O.CNc1c(N)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.CSc1nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2n1C.Cn1c(=S)[nH]c2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.Cn1c(N2CCOCC2)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.Cn1c(S(C)=O)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21
InChIInChI=1S/C28H29ClFN7O4.C25H26ClFN6O5S.C25H24ClFN6O4S.C25H24ClFN6O3S.C24H22ClFN6O3S.C23H24ClFN6O3/c1-28(30)15-36(16-28)22(38)14-37-24-19(11-20(26(37)40)25(39)32-12-17-3-5-18(29)6-4-17)23-21(13-31-24)33-27(34(23)2)35-7-9-41-10-8-35;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(31(20)2)39(3,37)38)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(31(20)2)38(3)37)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(37-3)31(20)2)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-24(26)11-31(12-24)18(33)10-32-20-15(19-17(9-27-20)29-23(36)30(19)2)7-16(22(32)35)21(34)28-8-13-3-5-14(25)6-4-13;1-23(25)11-30(12-23)18(32)10-31-20-15(19(27-2)17(26)9-28-20)7-16(22(31)34)21(33)29-8-13-3-5-14(24)6-4-13/h3-6,11,13H,7-10,12,14-16H2,1-2H3,(H,32,39);4-8,10,24,30H,9,11-13H2,1-3H3,(H,29,35);4-8,10H,9,11-13H2,1-3H3,(H,29,35);4-8,10H,9,11-13H2,1-3H3,(H,29,35);3-7,9H,8,10-12H2,1-2H3,(H,28,34)(H,29,36);3-7,9H,8,10-12,26H2,1-2H3,(H,27,28)(H,29,33)
InChIKeyIILBSPFQVWWRDT-UHFFFAOYSA-N
MW3277.05 g/mol
LogP14.62
Rot. Bonds35

About 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide

6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide (PubChem CID 158708648) has the molecular formula C150H149Cl6F6N37O22S4 and a molecular weight of 3277.05 g/mol. Its IUPAC name is 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide
PubChem CID158708648
Molecular FormulaC150H149Cl6F6N37O22S4
Molecular Weight3277.05 g/mol
Exact Mass3271.86
IUPAC Name6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide
SMILESCN1c2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(F)C2)NC1S(C)(=O)=O.CNc1c(N)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.CSc1nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2n1C.Cn1c(=S)[nH]c2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.Cn1c(N2CCOCC2)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.Cn1c(S(C)=O)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21
InChIInChI=1S/C28H29ClFN7O4.C25H26ClFN6O5S.C25H24ClFN6O4S.C25H24ClFN6O3S.C24H22ClFN6O3S.C23H24ClFN6O3/c1-28(30)15-36(16-28)22(38)14-37-24-19(11-20(26(37)40)25(39)32-12-17-3-5-18(29)6-4-17)23-21(13-31-24)33-27(34(23)2)35-7-9-41-10-8-35;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(31(20)2)39(3,37)38)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(31(20)2)38(3)37)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(37-3)31(20)2)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-24(26)11-31(12-24)18(33)10-32-20-15(19-17(9-27-20)29-23(36)30(19)2)7-16(22(32)35)21(34)28-8-13-3-5-14(25)6-4-13;1-23(25)11-30(12-23)18(32)10-31-20-15(19(27-2)17(26)9-28-20)7-16(22(31)34)21(33)29-8-13-3-5-14(24)6-4-13/h3-6,11,13H,7-10,12,14-16H2,1-2H3,(H,32,39);4-8,10,24,30H,9,11-13H2,1-3H3,(H,29,35);4-8,10H,9,11-13H2,1-3H3,(H,29,35);4-8,10H,9,11-13H2,1-3H3,(H,29,35);3-7,9H,8,10-12H2,1-2H3,(H,28,34)(H,29,36);3-7,9H,8,10-12,26H2,1-2H3,(H,27,28)(H,29,33)
InChIKeyIILBSPFQVWWRDT-UHFFFAOYSA-N
XLogP14.62
TPSA696.98 Ų
H-Bond Donors10
H-Bond Acceptors48
Rotatable Bonds35
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003277.05
LogP ≤ 514.62
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide?
The IUPAC name of 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide (CID 158708648) is 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide.
What is the SMILES notation for 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide?
The canonical SMILES for 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide is CN1c2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(F)C2)NC1S(C)(=O)=O.CNc1c(N)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.CSc1nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2n1C.Cn1c(=S)[nH]c2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.Cn1c(N2CCOCC2)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.Cn1c(S(C)=O)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21.
What is the InChIKey of 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide?
The InChIKey is IILBSPFQVWWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClFN7O4.C25H26ClFN6O5S.C25H24ClFN6O4S.C25H24ClFN6O3S.C24H22ClFN6O3S.C23H24ClFN6O3/c1-28(30)15-36(16-28)22(38)14-37-24-19(11-20(26(37)40)25(39)32-12-17-3-5-18(29)6-4-17)23-21(13-31-24)33-27(34(23)2)35-7-9-41-10-8-35;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(31(20)2)39(3,37)38)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(31(20)2)38(3)37)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30-24(37-3)31(20)2)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-24(26)11-31(12-24)18(33)10-32-20-15(19-17(9-27-20)29-23(36)30(19)2)7-16(22(32)35)21(34)28-8-13-3-5-14(25)6-4-13;1-23(25)11-30(12-23)18(32)10-31-20-15(19(27-2)17(26)9-28-20)7-16(22(31)34)21(33)29-8-13-3-5-14(24)6-4-13/h3-6,11,13H,7-10,12,14-16H2,1-2H3,(H,32,39);4-8,10,24,30H,9,11-13H2,1-3H3,(H,29,35);4-8,10H,9,11-13H2,1-3H3,(H,29,35);4-8,10H,9,11-13H2,1-3H3,(H,29,35);3-7,9H,8,10-12H2,1-2H3,(H,28,34)(H,29,36);3-7,9H,8,10-12,26H2,1-2H3,(H,27,28)(H,29,33).
What are the key properties of 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide?
6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide has a molecular weight of 3277.05 g/mol, XLogP of 14.62, 35 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-(methylamino)-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfanyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfinyl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-methylsulfonyl-7-oxo-2,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-2-morpholin-4-yl-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-7-oxo-2-sulfanylidene-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 158708648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).