2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide

C22H18ClF2N7O2S — CID 10208076

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1csnn1
InChIInChI=1S/C22H18ClF2N7O2S/c23-18-10-28-20(29-13-22(24,25)17-7-3-4-8-26-17)21(34)32(18)11-19(33)27-9-14-5-1-2-6-15(14)16-12-35-31-30-16/h1-8,10,12H,9,11,13H2,(H,27,33)(H,28,29)
InChIKeyKMLVXUITTLDAQL-UHFFFAOYSA-N
MW517.95 g/mol
LogP3.33
Rot. Bonds9

About 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide (PubChem CID 10208076) has the molecular formula C22H18ClF2N7O2S and a molecular weight of 517.95 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide
PubChem CID10208076
Molecular FormulaC22H18ClF2N7O2S
Molecular Weight517.95 g/mol
Exact Mass517.09
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1csnn1
InChIInChI=1S/C22H18ClF2N7O2S/c23-18-10-28-20(29-13-22(24,25)17-7-3-4-8-26-17)21(34)32(18)11-19(33)27-9-14-5-1-2-6-15(14)16-12-35-31-30-16/h1-8,10,12H,9,11,13H2,(H,27,33)(H,28,29)
InChIKeyKMLVXUITTLDAQL-UHFFFAOYSA-N
XLogP3.33
TPSA114.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.95
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide (CID 10208076) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide is O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1csnn1.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide?
The InChIKey is KMLVXUITTLDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N7O2S/c23-18-10-28-20(29-13-22(24,25)17-7-3-4-8-26-17)21(34)32(18)11-19(33)27-9-14-5-1-2-6-15(14)16-12-35-31-30-16/h1-8,10,12H,9,11,13H2,(H,27,33)(H,28,29).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide has a molecular weight of 517.95 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(thiadiazol-4-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 10208076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).