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

C23H20ClF2N7O2 — CID 10228750

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C23H20ClF2N7O2/c24-19-13-29-21(30-15-23(25,26)18-8-3-4-9-27-18)22(35)32(19)14-20(34)28-12-16-6-1-2-7-17(16)33-11-5-10-31-33/h1-11,13H,12,14-15H2,(H,28,34)(H,29,30)
InChIKeyZOQMMFQDQXUNEA-UHFFFAOYSA-N
MW499.91 g/mol
LogP3.00
Rot. Bonds9

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

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 10228750) has the molecular formula C23H20ClF2N7O2 and a molecular weight of 499.91 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID10228750
Molecular FormulaC23H20ClF2N7O2
Molecular Weight499.91 g/mol
Exact Mass499.13
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C23H20ClF2N7O2/c24-19-13-29-21(30-15-23(25,26)18-8-3-4-9-27-18)22(35)32(19)14-20(34)28-12-16-6-1-2-7-17(16)33-11-5-10-31-33/h1-11,13H,12,14-15H2,(H,28,34)(H,29,30)
InChIKeyZOQMMFQDQXUNEA-UHFFFAOYSA-N
XLogP3.00
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.91
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (CID 10228750) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)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-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is ZOQMMFQDQXUNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N7O2/c24-19-13-29-21(30-15-23(25,26)18-8-3-4-9-27-18)22(35)32(19)14-20(34)28-12-16-6-1-2-7-17(16)33-11-5-10-31-33/h1-11,13H,12,14-15H2,(H,28,34)(H,29,30).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 499.91 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 8 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-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 10228750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).