N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide

C29H23Cl2F3N4O — CID 58327792

About N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide

N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 58327792) has the molecular formula C29H23Cl2F3N4O and a molecular weight of 571.43 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide
• PubChem CID: 58327792
• Molecular Formula: C29H23Cl2F3N4O
• Molecular Weight: 571.43 g/mol
• Exact Mass: 570.12
• IUPAC Name: N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide
• SMILES: O=C(NCc1ccccc1Cl)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1
• InChI: InChI=1S/C29H23Cl2F3N4O/c30-23-9-10-24(29(32,33)34)22(13-23)17-38-12-11-35-27-26(38)14-21(16-36-27)18-5-7-19(8-6-18)28(39)37-15-20-3-1-2-4-25(20)31/h1-10,13-14,16H,11-12,15,17H2,(H,35,36)(H,37,39)
• InChIKey: LFKJEPNCNJDKBO-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.43
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide?

The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide (CID 58327792) is N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide.

What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide?

The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide is O=C(NCc1ccccc1Cl)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1.

What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide?

The InChIKey is LFKJEPNCNJDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2F3N4O/c30-23-9-10-24(29(32,33)34)22(13-23)17-38-12-11-35-27-26(38)14-21(16-36-27)18-5-7-19(8-6-18)28(39)37-15-20-3-1-2-4-25(20)31/h1-10,13-14,16H,11-12,15,17H2,(H,35,36)(H,37,39).

What are the key properties of N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide?

N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 571.43 g/mol, XLogP of 7.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chlorophenyl)methyl]-4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 58327792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).