2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide

C23H26ClF2N5O2S — CID 162577899

IUPAC2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide
SMILESCCSc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)C2=CC=CCN2C)c1=O
InChIInChI=1S/C23H26ClF2N5O2S/c1-3-34-17-9-5-4-8-16(17)12-27-20(32)14-31-19(24)13-28-21(22(31)33)29-15-23(25,26)18-10-6-7-11-30(18)2/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyUVRTWNHTFWMHQK-UHFFFAOYSA-N
MW510.01 g/mol
LogP3.76
Rot. Bonds10

About 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide

2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide (PubChem CID 162577899) has the molecular formula C23H26ClF2N5O2S and a molecular weight of 510.01 g/mol. Its IUPAC name is 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide
PubChem CID162577899
Molecular FormulaC23H26ClF2N5O2S
Molecular Weight510.01 g/mol
Exact Mass509.15
IUPAC Name2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide
SMILESCCSc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)C2=CC=CCN2C)c1=O
InChIInChI=1S/C23H26ClF2N5O2S/c1-3-34-17-9-5-4-8-16(17)12-27-20(32)14-31-19(24)13-28-21(22(31)33)29-15-23(25,26)18-10-6-7-11-30(18)2/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyUVRTWNHTFWMHQK-UHFFFAOYSA-N
XLogP3.76
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.01
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide (CID 162577899) is 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide is CCSc1ccccc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)C2=CC=CCN2C)c1=O.
What is the InChIKey of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide?
The InChIKey is UVRTWNHTFWMHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClF2N5O2S/c1-3-34-17-9-5-4-8-16(17)12-27-20(32)14-31-19(24)13-28-21(22(31)33)29-15-23(25,26)18-10-6-7-11-30(18)2/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide?
2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide has a molecular weight of 510.01 g/mol, XLogP of 3.76, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[[2,2-difluoro-2-(1-methyl-2H-pyridin-6-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(2-ethylsulfanylphenyl)methyl]acetamide is sourced from PubChem (CID 162577899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).