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

C31H29F3N4O2 — CID 134291995

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

N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide (PubChem CID 134291995) has the molecular formula C31H29F3N4O2 and a molecular weight of 546.59 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide
• PubChem CID: 134291995
• Molecular Formula: C31H29F3N4O2
• Molecular Weight: 546.59 g/mol
• Exact Mass: 546.22
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide
• SMILES: COc1ccc(CNC(=O)c2ccc(-c3cnc4c(c3)N(Cc3cc(C)ccc3C(F)(F)F)CCN4)cc2)cc1
• InChI: InChI=1S/C31H29F3N4O2/c1-20-3-12-27(31(32,33)34)25(15-20)19-38-14-13-35-29-28(38)16-24(18-36-29)22-6-8-23(9-7-22)30(39)37-17-21-4-10-26(40-2)11-5-21/h3-12,15-16,18H,13-14,17,19H2,1-2H3,(H,35,36)(H,37,39)
• InChIKey: XPIZYPQAJOKUHJ-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.59
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide (CID 134291995) is N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide is COc1ccc(CNC(=O)c2ccc(-c3cnc4c(c3)N(Cc3cc(C)ccc3C(F)(F)F)CCN4)cc2)cc1.

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

The InChIKey is XPIZYPQAJOKUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N4O2/c1-20-3-12-27(31(32,33)34)25(15-20)19-38-14-13-35-29-28(38)16-24(18-36-29)22-6-8-23(9-7-22)30(39)37-17-21-4-10-26(40-2)11-5-21/h3-12,15-16,18H,13-14,17,19H2,1-2H3,(H,35,36)(H,37,39).

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

N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide has a molecular weight of 546.59 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-4-[1-[[5-methyl-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzamide is sourced from PubChem (CID 134291995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).