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

C30H23ClF6N4O — CID 58327796

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

4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 58327796) has the molecular formula C30H23ClF6N4O and a molecular weight of 604.98 g/mol. Its IUPAC name is 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
• PubChem CID: 58327796
• Molecular Formula: C30H23ClF6N4O
• Molecular Weight: 604.98 g/mol
• Exact Mass: 604.15
• IUPAC Name: 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
• SMILES: O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1
• InChI: InChI=1S/C30H23ClF6N4O/c31-24-9-10-25(30(35,36)37)22(13-24)17-41-12-11-38-27-26(41)14-21(16-39-27)19-3-5-20(6-4-19)28(42)40-15-18-1-7-23(8-2-18)29(32,33)34/h1-10,13-14,16H,11-12,15,17H2,(H,38,39)(H,40,42)
• InChIKey: GKVZKTHPFSWSNV-UHFFFAOYSA-N
• XLogP: 7.80
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.98
LogP ≤ 5	7.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 58327796) is 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

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

The canonical SMILES for 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1.

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

The InChIKey is GKVZKTHPFSWSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClF6N4O/c31-24-9-10-25(30(35,36)37)22(13-24)17-41-12-11-38-27-26(41)14-21(16-39-27)19-3-5-20(6-4-19)28(42)40-15-18-1-7-23(8-2-18)29(32,33)34/h1-10,13-14,16H,11-12,15,17H2,(H,38,39)(H,40,42).

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

4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 604.98 g/mol, XLogP of 7.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 58327796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).