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

C28H23ClF3N5O — CID 67092230

IUPACN-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1cccnc1)c1cnc2c(c1)N(Cc1cc(Cl)ccc1C(F)(F)F)CCN2
InChIInChI=1S/C28H23ClF3N5O/c29-22-8-9-24(28(30,31)32)21(13-22)18-36-12-11-34-26-25(36)14-23(16-35-26)37(17-19-5-4-10-33-15-19)27(38)20-6-2-1-3-7-20/h1-10,13-16H,11-12,17-18H2,(H,34,35)
InChIKeyGLNJEULWCORSIX-UHFFFAOYSA-N
MW537.97 g/mol
LogP6.43
Rot. Bonds6

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

N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 67092230) has the molecular formula C28H23ClF3N5O and a molecular weight of 537.97 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-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID67092230
Molecular FormulaC28H23ClF3N5O
Molecular Weight537.97 g/mol
Exact Mass537.15
IUPAC NameN-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(c1ccccc1)N(Cc1cccnc1)c1cnc2c(c1)N(Cc1cc(Cl)ccc1C(F)(F)F)CCN2
InChIInChI=1S/C28H23ClF3N5O/c29-22-8-9-24(28(30,31)32)21(13-22)18-36-12-11-34-26-25(36)14-23(16-35-26)37(17-19-5-4-10-33-15-19)27(38)20-6-2-1-3-7-20/h1-10,13-16H,11-12,17-18H2,(H,34,35)
InChIKeyGLNJEULWCORSIX-UHFFFAOYSA-N
XLogP6.43
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.97
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 67092244
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 58327890
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 67092229
4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 71158125
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 58327946
[3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 58327869
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 58327791
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 58327864
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(naphthalen-1-ylmethyl)benzamide
CID 67091756
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
3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(2E,4E)-2-methyl-5-(trifluoromethoxy)hexa-2,4-dienyl]benzamide
CID 134291964
2-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 67092243

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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)benzamide (CID 67092230) is N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)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-(pyridin-3-ylmethyl)benzamide is O=C(c1ccccc1)N(Cc1cccnc1)c1cnc2c(c1)N(Cc1cc(Cl)ccc1C(F)(F)F)CCN2.
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-(pyridin-3-ylmethyl)benzamide?
The InChIKey is GLNJEULWCORSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N5O/c29-22-8-9-24(28(30,31)32)21(13-22)18-36-12-11-34-26-25(36)14-23(16-35-26)37(17-19-5-4-10-33-15-19)27(38)20-6-2-1-3-7-20/h1-10,13-16H,11-12,17-18H2,(H,34,35).
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-(pyridin-3-ylmethyl)benzamide?
N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 537.97 g/mol, XLogP of 6.43, 6 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-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 67092230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).