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

C30H26ClF3N4O2 — CID 67091830

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

N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 67091830) has the molecular formula C30H26ClF3N4O2 and a molecular weight of 567.01 g/mol. Its IUPAC name is N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

• Compound Name: N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide
• PubChem CID: 67091830
• Molecular Formula: C30H26ClF3N4O2
• Molecular Weight: 567.01 g/mol
• Exact Mass: 566.17
• IUPAC Name: N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide
• SMILES: COc1cccc(CN(C(=O)c2ccccc2)c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1
• InChI: InChI=1S/C30H26ClF3N4O2/c1-40-25-9-5-6-20(14-25)18-38(29(39)21-7-3-2-4-8-21)24-16-27-28(36-17-24)35-12-13-37(27)19-22-15-23(31)10-11-26(22)30(32,33)34/h2-11,14-17H,12-13,18-19H2,1H3,(H,35,36)
• InChIKey: KIXDZZCHRJYMIQ-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.01
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide (CID 67091830) is N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide.

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

The canonical SMILES for N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CN(C(=O)c2ccccc2)c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)c1.

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

The InChIKey is KIXDZZCHRJYMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClF3N4O2/c1-40-25-9-5-6-20(14-25)18-38(29(39)21-7-3-2-4-8-21)24-16-27-28(36-17-24)35-12-13-37(27)19-22-15-23(31)10-11-26(22)30(32,33)34/h2-11,14-17H,12-13,18-19H2,1H3,(H,35,36).

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

N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 567.01 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 67091830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).