N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C18H20FN7O2 — CID 166227855

IUPACN-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESO=C(Cn1ncn2nccc2c1=O)NCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C18H20FN7O2/c19-14-9-13(1-2-15(14)24-7-5-20-6-8-24)10-21-17(27)11-25-18(28)16-3-4-22-26(16)12-23-25/h1-4,9,12,20H,5-8,10-11H2,(H,21,27)
InChIKeyRIVWGZCOZVIWBE-UHFFFAOYSA-N
MW385.40 g/mol
LogP-0.24
Rot. Bonds5

About N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 166227855) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID166227855
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC NameN-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESO=C(Cn1ncn2nccc2c1=O)NCc1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C18H20FN7O2/c19-14-9-13(1-2-15(14)24-7-5-20-6-8-24)10-21-17(27)11-25-18(28)16-3-4-22-26(16)12-23-25/h1-4,9,12,20H,5-8,10-11H2,(H,21,27)
InChIKeyRIVWGZCOZVIWBE-UHFFFAOYSA-N
XLogP-0.24
TPSA96.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]cyclopropanecarboxamide
CID 68873168
(2S,3R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124697308
trans-(1R,2R)-N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 124690541
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-[(4-chlorophenyl)methyl]-2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetamide
CID 6623376
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 20884947
2-(3-fluoro-4-piperazin-1-ylphenyl)acetaldehyde
CID 87765798
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513266
N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513250
N-(4-methylcyclohexyl)-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 139000242
2-(8-fluoro-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 20884907
N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798088

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 166227855) is N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is O=C(Cn1ncn2nccc2c1=O)NCc1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is RIVWGZCOZVIWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2/c19-14-9-13(1-2-15(14)24-7-5-20-6-8-24)10-21-17(27)11-25-18(28)16-3-4-22-26(16)12-23-25/h1-4,9,12,20H,5-8,10-11H2,(H,21,27).
What are the key properties of N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 385.40 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-piperazin-1-ylphenyl)methyl]-2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 166227855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).