2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride

C28H32Cl2FN9O5 — CID 170159446

About 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride

2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride (PubChem CID 170159446) has the molecular formula C28H32Cl2FN9O5 and a molecular weight of 664.53 g/mol. Its IUPAC name is 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride
• PubChem CID: 170159446
• Molecular Formula: C28H32Cl2FN9O5
• Molecular Weight: 664.53 g/mol
• Exact Mass: 663.19
• IUPAC Name: 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride
• SMILES: CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3nc(N4CCN(CCNC(=O)CN)C4=O)cnc32)C1.Cl
• InChI: InChI=1S/C28H31ClFN9O5.ClH/c1-28(30)15-37(16-28)23(41)14-39-24-20(10-19(26(39)43)25(42)34-12-17-2-4-18(29)5-3-17)35-21(13-33-24)38-9-8-36(27(38)44)7-6-32-22(40)11-31;/h2-5,10,13H,6-9,11-12,14-16,31H2,1H3,(H,32,40)(H,34,42);1H
• InChIKey: LRPBLVYXEOYTIA-UHFFFAOYSA-N
• XLogP: 0.68
• TPSA: 175.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.53
LogP ≤ 5	0.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride?

The IUPAC name of 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride (CID 170159446) is 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride.

What is the SMILES notation for 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride?

The canonical SMILES for 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride is CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3nc(N4CCN(CCNC(=O)CN)C4=O)cnc32)C1.Cl.

What is the InChIKey of 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride?

The InChIKey is LRPBLVYXEOYTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClFN9O5.ClH/c1-28(30)15-37(16-28)23(41)14-39-24-20(10-19(26(39)43)25(42)34-12-17-2-4-18(29)5-3-17)35-21(13-33-24)38-9-8-36(27(38)44)7-6-32-22(40)11-31;/h2-5,10,13H,6-9,11-12,14-16,31H2,1H3,(H,32,40)(H,34,42);1H.

What are the key properties of 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride?

2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride has a molecular weight of 664.53 g/mol, XLogP of 0.68, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[(2-aminoacetyl)amino]ethyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]-5-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-6-oxopyrido[2,3-b]pyrazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 170159446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).