N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide

C20H22FN7O4S — CID 139503504

IUPACN-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
SMILESCCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1
InChIInChI=1S/C20H22FN7O4S/c1-5-32-16-11-22-10-14(25-16)12-8-13(21)17(24-9-12)27-18(29)20(2,3)15-6-7-23-19(26-15)28-33(4,30)31/h6-11H,5H2,1-4H3,(H,23,26,28)(H,24,27,29)
InChIKeyRGVAQVIWFVNRKB-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.15
Rot. Bonds8

About N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide

N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide (PubChem CID 139503504) has the molecular formula C20H22FN7O4S and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
PubChem CID139503504
Molecular FormulaC20H22FN7O4S
Molecular Weight475.51 g/mol
Exact Mass475.14
IUPAC NameN-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide
SMILESCCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1
InChIInChI=1S/C20H22FN7O4S/c1-5-32-16-11-22-10-14(25-16)12-8-13(21)17(24-9-12)27-18(29)20(2,3)15-6-7-23-19(26-15)28-33(4,30)31/h6-11H,5H2,1-4H3,(H,23,26,28)(H,24,27,29)
InChIKeyRGVAQVIWFVNRKB-UHFFFAOYSA-N
XLogP2.15
TPSA148.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(cyclopropylsulfanylamino)pyrimidin-4-yl]-N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-methylpropanamide
CID 139515537
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-[2-(ethylsulfonylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139503550
(2R)-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluoro-2-[2-(methanesulfonamido)pyrimidin-4-yl]butanamide
CID 152706071
N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-2-[2-(ethylsulfanylamino)pyrimidin-4-yl]-2-methylpropanamide
CID 139515541
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[2-fluoro-4-(6-propan-2-yloxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139503546
2-[2-(cyclobutylsulfanylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139515540
3-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-4-[2-(methanesulfonamido)pyrimidin-4-yl]piperidine-4-carboxamide
CID 177370841
5-(6-ethoxypyrazin-2-yl)-3-fluoropyridin-2-amine
CID 138673732
1-[4-(6-ethoxypyrazin-2-yl)phenyl]-3-[2-(ethylsulfonylmethyl)pyrimidin-4-yl]-3-methylbutan-2-one
CID 162177016
N-[(1R)-1-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]propyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 163271235
2-[2-(cyclopropylsulfonylamino)-5-methyl-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 138673682
(2S)-2-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[5-(6-ethoxypyrazin-2-yl)-2-pyridinyl]-2-fluorobutanamide
CID 163271844

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide (CID 139503504) is N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide is CCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3ccnc(NS(C)(=O)=O)n3)c(F)c2)n1.
What is the InChIKey of N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
The InChIKey is RGVAQVIWFVNRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O4S/c1-5-32-16-11-22-10-14(25-16)12-8-13(21)17(24-9-12)27-18(29)20(2,3)15-6-7-23-19(26-15)28-33(4,30)31/h6-11H,5H2,1-4H3,(H,23,26,28)(H,24,27,29).
What are the key properties of N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide?
N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide has a molecular weight of 475.51 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-ethoxypyrazin-2-yl)-3-fluoro-2-pyridinyl]-2-[2-(methanesulfonamido)pyrimidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 139503504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).