tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate

C89H85Cl4N21O15 — CID 157082934

About tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate

tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate (PubChem CID 157082934) has the molecular formula C89H85Cl4N21O15 and a molecular weight of 1830.60 g/mol. Its IUPAC name is tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate
• PubChem CID: 157082934
• Molecular Formula: C89H85Cl4N21O15
• Molecular Weight: 1830.60 g/mol
• Exact Mass: 1827.53
• IUPAC Name: tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate
• SMILES: CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(N)cnc21.CCOC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c3nc(C)[nH]c3cnc21.Cc1nc2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)[nH]1.Cc1nc2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)[nH]1
• InChI: InChI=1S/C25H25ClN6O3.C22H20ClN5O4.C22H24ClN5O4.C20H16ClN5O4/c1-14-29-19-10-27-22-17(21(19)30-14)8-18(23(34)28-9-15-4-6-16(26)7-5-15)24(35)32(22)11-20(33)31-12-25(2,3)13-31;1-3-32-18(29)11-28-20-15(19-17(10-24-20)26-12(2)27-19)8-16(22(28)31)21(30)25-9-13-4-6-14(23)7-5-13;1-22(2,3)32-17(29)11-28-19-14(18(25)16(24)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(23)7-5-12;1-10-24-15-8-22-18-13(17(15)25-10)6-14(20(30)26(18)9-16(27)28)19(29)23-7-11-2-4-12(21)5-3-11/h4-8,10H,9,11-13H2,1-3H3,(H,28,34)(H,29,30);4-8,10H,3,9,11H2,1-2H3,(H,25,30)(H,26,27);4-8,10H,9,11,24H2,1-3H3,(H2,25,26)(H,27,30);2-6,8H,7,9H2,1H3,(H,23,29)(H,24,25)(H,27,28)
• InChIKey: ADTKEPZOXUZGJL-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 504.25 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1830.60
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate?

The IUPAC name of tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate (CID 157082934) is tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate.

What is the SMILES notation for tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate?

The canonical SMILES for tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate is CC(C)(C)OC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c(N)c(N)cnc21.CCOC(=O)Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)cc2c3nc(C)[nH]c3cnc21.Cc1nc2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)[nH]1.Cc1nc2c(cnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)O)[nH]1.

What is the InChIKey of tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate?

The InChIKey is ADTKEPZOXUZGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O3.C22H20ClN5O4.C22H24ClN5O4.C20H16ClN5O4/c1-14-29-19-10-27-22-17(21(19)30-14)8-18(23(34)28-9-15-4-6-16(26)7-5-15)24(35)32(22)11-20(33)31-12-25(2,3)13-31;1-3-32-18(29)11-28-20-15(19-17(10-24-20)26-12(2)27-19)8-16(22(28)31)21(30)25-9-13-4-6-14(23)7-5-13;1-22(2,3)32-17(29)11-28-19-14(18(25)16(24)10-26-19)8-15(21(28)31)20(30)27-9-12-4-6-13(23)7-5-12;1-10-24-15-8-22-18-13(17(15)25-10)6-14(20(30)26(18)9-16(27)28)19(29)23-7-11-2-4-12(21)5-3-11/h4-8,10H,9,11-13H2,1-3H3,(H,28,34)(H,29,30);4-8,10H,3,9,11H2,1-2H3,(H,25,30)(H,26,27);4-8,10H,9,11,24H2,1-3H3,(H2,25,26)(H,27,30);2-6,8H,7,9H2,1H3,(H,23,29)(H,24,25)(H,27,28).

What are the key properties of tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate?

tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate has a molecular weight of 1830.60 g/mol, XLogP of 10.50, 21 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[5,6-diamino-3-[(4-chlorophenyl)methylcarbamoyl]-2-oxo-1,8-naphthyridin-1-yl]acetate;2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetic acid;N-[(4-chlorophenyl)methyl]-6-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-methyl-7-oxo-3H-imidazo[4,5-c][1,8]naphthyridine-8-carboxamide;ethyl 2-[8-[(4-chlorophenyl)methylcarbamoyl]-2-methyl-7-oxo-3H-imidazo[4,5-f][1,8]naphthyridin-6-yl]acetate is sourced from PubChem (CID 157082934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).