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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide

C80H83Cl3F3N19O9 — CID 159590464

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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide
SMILESCN1CCCC1c1nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2n1C.CNc1c(N)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.Cn1c(C2CCC2)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21
InChIInChI=1S/C29H31ClFN7O3.C28H28ClFN6O3.C23H24ClFN6O3/c1-29(31)15-37(16-29)23(39)14-38-25-19(11-20(28(38)41)27(40)33-12-17-6-8-18(30)9-7-17)24-21(13-32-25)34-26(36(24)3)22-5-4-10-35(22)2;1-28(30)14-35(15-28)22(37)13-36-25-19(23-21(12-31-25)33-24(34(23)2)17-4-3-5-17)10-20(27(36)39)26(38)32-11-16-6-8-18(29)9-7-16;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/h6-9,11,13,22H,4-5,10,12,14-16H2,1-3H3,(H,33,40);6-10,12,17H,3-5,11,13-15H2,1-2H3,(H,32,38);3-7,9H,8,10-12,26H2,1-2H3,(H,27,28)(H,29,33)
InChIKeyMKECPBMLKYAOSR-UHFFFAOYSA-N
MW1618.02 g/mol
LogP9.08
Rot. Bonds18

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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide (PubChem CID 159590464) has the molecular formula C80H83Cl3F3N19O9 and a molecular weight of 1618.02 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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide
PubChem CID159590464
Molecular FormulaC80H83Cl3F3N19O9
Molecular Weight1618.02 g/mol
Exact Mass1615.56
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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide
SMILESCN1CCCC1c1nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2n1C.CNc1c(N)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.Cn1c(C2CCC2)nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c21
InChIInChI=1S/C29H31ClFN7O3.C28H28ClFN6O3.C23H24ClFN6O3/c1-29(31)15-37(16-29)23(39)14-38-25-19(11-20(28(38)41)27(40)33-12-17-6-8-18(30)9-7-17)24-21(13-32-25)34-26(36(24)3)22-5-4-10-35(22)2;1-28(30)14-35(15-28)22(37)13-36-25-19(23-21(12-31-25)33-24(34(23)2)17-4-3-5-17)10-20(27(36)39)26(38)32-11-16-6-8-18(29)9-7-16;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/h6-9,11,13,22H,4-5,10,12,14-16H2,1-3H3,(H,33,40);6-10,12,17H,3-5,11,13-15H2,1-2H3,(H,32,38);3-7,9H,8,10-12,26H2,1-2H3,(H,27,28)(H,29,33)
InChIKeyMKECPBMLKYAOSR-UHFFFAOYSA-N
XLogP9.08
TPSA329.83 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.02
LogP ≤ 59.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide (CID 159590464) 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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide is CN1CCCC1c1nc2cnc3c(cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n3CC(=O)N3CC(C)(F)C3)c2n1C.CNc1c(N)cnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(F)C1.Cn1c(C2CCC2)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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide?
The InChIKey is MKECPBMLKYAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClFN7O3.C28H28ClFN6O3.C23H24ClFN6O3/c1-29(31)15-37(16-29)23(39)14-38-25-19(11-20(28(38)41)27(40)33-12-17-6-8-18(30)9-7-17)24-21(13-32-25)34-26(36(24)3)22-5-4-10-35(22)2;1-28(30)14-35(15-28)22(37)13-36-25-19(23-21(12-31-25)33-24(34(23)2)17-4-3-5-17)10-20(27(36)39)26(38)32-11-16-6-8-18(29)9-7-16;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/h6-9,11,13,22H,4-5,10,12,14-16H2,1-3H3,(H,33,40);6-10,12,17H,3-5,11,13-15H2,1-2H3,(H,32,38);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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide has a molecular weight of 1618.02 g/mol, XLogP of 9.08, 18 rotatable bonds, 5 hydrogen bond donors, and 22 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]-2-cyclobutyl-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1-methyl-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-(1-methylpyrrolidin-2-yl)-7-oxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide is sourced from PubChem (CID 159590464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).