2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide

C23H20ClF2N7O2 — CID 11225789

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C23H20ClF2N7O2/c24-19-12-29-21(30-14-23(25,26)18-7-3-4-9-27-18)22(35)33(19)13-20(34)28-11-15-5-1-2-6-16(15)17-8-10-31-32-17/h1-10,12H,11,13-14H2,(H,28,34)(H,29,30)(H,31,32)
InChIKeyKZTYBUJCPCENSM-UHFFFAOYSA-N
MW499.91 g/mol
LogP3.20
Rot. Bonds9

About 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide (PubChem CID 11225789) 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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
PubChem CID11225789
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-(1H-pyrazol-5-yl)phenyl]methyl]acetamide
SMILESO=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C23H20ClF2N7O2/c24-19-12-29-21(30-14-23(25,26)18-7-3-4-9-27-18)22(35)33(19)13-20(34)28-11-15-5-1-2-6-16(15)17-8-10-31-32-17/h1-10,12H,11,13-14H2,(H,28,34)(H,29,30)(H,31,32)
InChIKeyKZTYBUJCPCENSM-UHFFFAOYSA-N
XLogP3.20
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.91
LogP ≤ 53.20
H-Bond Donors ≤ 53
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-[[2-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]methyl]acetamide (CID 11225789) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-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-(1H-pyrazol-5-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-(1H-pyrazol-5-yl)phenyl]methyl]acetamide is O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-c1ccn[nH]1.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide?
The InChIKey is KZTYBUJCPCENSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N7O2/c24-19-12-29-21(30-14-23(25,26)18-7-3-4-9-27-18)22(35)33(19)13-20(34)28-11-15-5-1-2-6-16(15)17-8-10-31-32-17/h1-10,12H,11,13-14H2,(H,28,34)(H,29,30)(H,31,32).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide has a molecular weight of 499.91 g/mol, XLogP of 3.20, 9 rotatable bonds, 3 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-[[2-(1H-pyrazol-5-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 11225789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).