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

C33H28ClF3N4 — CID 143576078

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

1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 143576078) has the molecular formula C33H28ClF3N4 and a molecular weight of 573.06 g/mol. Its IUPAC name is 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

• Compound Name: 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine
• PubChem CID: 143576078
• Molecular Formula: C33H28ClF3N4
• Molecular Weight: 573.06 g/mol
• Exact Mass: 572.20
• IUPAC Name: 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine
• SMILES: FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(-c3cccc(CNCc4cccc5ccccc45)c3)cc21
• InChI: InChI=1S/C33H28ClF3N4/c34-28-11-12-30(33(35,36)37)27(16-28)21-41-14-13-39-32-31(41)17-26(20-40-32)24-8-3-5-22(15-24)18-38-19-25-9-4-7-23-6-1-2-10-29(23)25/h1-12,15-17,20,38H,13-14,18-19,21H2,(H,39,40)
• InChIKey: URBJIPLQDUIRDJ-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.06
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine (CID 143576078) is 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine.

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

The canonical SMILES for 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine is FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(-c3cccc(CNCc4cccc5ccccc45)c3)cc21.

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

The InChIKey is URBJIPLQDUIRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28ClF3N4/c34-28-11-12-30(33(35,36)37)27(16-28)21-41-14-13-39-32-31(41)17-26(20-40-32)24-8-3-5-22(15-24)18-38-19-25-9-4-7-23-6-1-2-10-29(23)25/h1-12,15-17,20,38H,13-14,18-19,21H2,(H,39,40).

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

1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 573.06 g/mol, XLogP of 8.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 143576078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).