N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H20FN7OS — CID 142415546

IUPACN-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3c(F)c(C)nc4ncnn34)C2)s1
InChIInChI=1S/C17H20FN7OS/c1-10-15(18)14(25-16(22-10)20-9-21-25)5-12-3-4-24(7-12)8-13-6-19-17(27-13)23-11(2)26/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,23,26)
InChIKeyBVRPAIXOAPUDFK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.05
Rot. Bonds5

About N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415546) has the molecular formula C17H20FN7OS and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415546
Molecular FormulaC17H20FN7OS
Molecular Weight389.46 g/mol
Exact Mass389.14
IUPAC NameN-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3c(F)c(C)nc4ncnn34)C2)s1
InChIInChI=1S/C17H20FN7OS/c1-10-15(18)14(25-16(22-10)20-9-21-25)5-12-3-4-24(7-12)8-13-6-19-17(27-13)23-11(2)26/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,23,26)
InChIKeyBVRPAIXOAPUDFK-UHFFFAOYSA-N
XLogP2.05
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415546) is N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3c(F)c(C)nc4ncnn34)C2)s1.
What is the InChIKey of N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is BVRPAIXOAPUDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7OS/c1-10-15(18)14(25-16(22-10)20-9-21-25)5-12-3-4-24(7-12)8-13-6-19-17(27-13)23-11(2)26/h6,9,12H,3-5,7-8H2,1-2H3,(H,19,23,26).
What are the key properties of N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 389.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).