N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

C18H18FN5O3S — CID 166918388

IUPACN-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(F)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C18H18FN5O3S/c1-11(25)21-18-9-17(15(10-20-18)16-4-5-24(2)23-16)22-13-6-12(19)7-14(8-13)28(3,26)27/h4-10H,1-3H3,(H2,20,21,22,25)
InChIKeyIZVZPJANCQHHOA-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.73
Rot. Bonds5

About N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide

N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (PubChem CID 166918388) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
PubChem CID166918388
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC NameN-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(F)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1
InChIInChI=1S/C18H18FN5O3S/c1-11(25)21-18-9-17(15(10-20-18)16-4-5-24(2)23-16)22-13-6-12(19)7-14(8-13)28(3,26)27/h4-10H,1-3H3,(H2,20,21,22,25)
InChIKeyIZVZPJANCQHHOA-UHFFFAOYSA-N
XLogP2.73
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide (CID 166918388) is N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(F)cc(S(C)(=O)=O)c2)c(-c2ccn(C)n2)cn1.
What is the InChIKey of N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
The InChIKey is IZVZPJANCQHHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-11(25)21-18-9-17(15(10-20-18)16-4-5-24(2)23-16)22-13-6-12(19)7-14(8-13)28(3,26)27/h4-10H,1-3H3,(H2,20,21,22,25).
What are the key properties of N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide?
N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-5-methylsulfonylanilino)-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 166918388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).