N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide

C22H25FN6O4S — CID 139503416

IUPACN-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1
InChIInChI=1S/C22H25FN6O4S/c1-13(2)33-19-12-24-11-17(26-19)14-6-7-16(15(23)10-14)27-20(30)22(3,4)18-8-9-25-21(28-18)29-34(5,31)32/h6-13H,1-5H3,(H,27,30)(H,25,28,29)
InChIKeyYGDRXPFZOCOXLA-UHFFFAOYSA-N
MW488.55 g/mol
LogP3.15
Rot. Bonds8

About N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide

N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 139503416) has the molecular formula C22H25FN6O4S and a molecular weight of 488.55 g/mol. Its IUPAC name is N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID139503416
Molecular FormulaC22H25FN6O4S
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC NameN-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1
InChIInChI=1S/C22H25FN6O4S/c1-13(2)33-19-12-24-11-17(26-19)14-6-7-16(15(23)10-14)27-20(30)22(3,4)18-8-9-25-21(28-18)29-34(5,31)32/h6-13H,1-5H3,(H,27,30)(H,25,28,29)
InChIKeyYGDRXPFZOCOXLA-UHFFFAOYSA-N
XLogP3.15
TPSA136.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide (CID 139503416) is N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide is CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1.
What is the InChIKey of N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is YGDRXPFZOCOXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O4S/c1-13(2)33-19-12-24-11-17(26-19)14-6-7-16(15(23)10-14)27-20(30)22(3,4)18-8-9-25-21(28-18)29-34(5,31)32/h6-13H,1-5H3,(H,27,30)(H,25,28,29).
What are the key properties of N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 488.55 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 139503416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).