2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide

C19H16ClF3N6O2 — CID 67197306

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide
SMILESCN(C(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)c1ncccc1F
InChIInChI=1S/C19H16ClF3N6O2/c1-28(17-12(21)5-4-8-25-17)15(30)10-29-14(20)9-26-16(18(29)31)27-11-19(22,23)13-6-2-3-7-24-13/h2-9H,10-11H2,1H3,(H,26,27)
InChIKeyDRIKJKQBAZYPJP-UHFFFAOYSA-N
MW452.82 g/mol
LogP2.69
Rot. Bonds7

About 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide (PubChem CID 67197306) has the molecular formula C19H16ClF3N6O2 and a molecular weight of 452.82 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide
PubChem CID67197306
Molecular FormulaC19H16ClF3N6O2
Molecular Weight452.82 g/mol
Exact Mass452.10
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide
SMILESCN(C(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)c1ncccc1F
InChIInChI=1S/C19H16ClF3N6O2/c1-28(17-12(21)5-4-8-25-17)15(30)10-29-14(20)9-26-16(18(29)31)27-11-19(22,23)13-6-2-3-7-24-13/h2-9H,10-11H2,1H3,(H,26,27)
InChIKeyDRIKJKQBAZYPJP-UHFFFAOYSA-N
XLogP2.69
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3-fluoro-2-pyridinyl)-N-methylacetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide (CID 67197306) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide is CN(C(=O)Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)c1ncccc1F.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide?
The InChIKey is DRIKJKQBAZYPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6O2/c1-28(17-12(21)5-4-8-25-17)15(30)10-29-14(20)9-26-16(18(29)31)27-11-19(22,23)13-6-2-3-7-24-13/h2-9H,10-11H2,1H3,(H,26,27).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide has a molecular weight of 452.82 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 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-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-(3-fluoro-2-pyridinyl)-N-methylacetamide is sourced from PubChem (CID 67197306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).