N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide

C19H13F2N5O2S — CID 135656101

IUPACN-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1)Nc1ccc(F)cc1
InChIInChI=1S/C19H13F2N5O2S/c20-12-3-1-11(2-4-12)15-9-22-26-17(15)24-18(25-19(26)28)29-10-16(27)23-14-7-5-13(21)6-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28)
InChIKeySAHKQUSLUAKZFX-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.09
Rot. Bonds5

About N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide

N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide (PubChem CID 135656101) has the molecular formula C19H13F2N5O2S and a molecular weight of 413.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide
PubChem CID135656101
Molecular FormulaC19H13F2N5O2S
Molecular Weight413.41 g/mol
Exact Mass413.08
IUPAC NameN-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1)Nc1ccc(F)cc1
InChIInChI=1S/C19H13F2N5O2S/c20-12-3-1-11(2-4-12)15-9-22-26-17(15)24-18(25-19(26)28)29-10-16(27)23-14-7-5-13(21)6-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28)
InChIKeySAHKQUSLUAKZFX-UHFFFAOYSA-N
XLogP3.09
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[1-(4-Fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-6-YL]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 135412357
5-chloro-6-[[4-oxo-8-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136237947
5-chloro-6-[[8-(4-iodophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136240089
1-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135440921
6-benzylsulfanyl-1-(4-fluorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135472844
5-chloro-6-[(4-oxo-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136245059
5-chloro-6-[[4-oxo-8-[4-(trifluoromethyl)phenyl]-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136245060
5-chloro-6-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136245286
5-chloro-6-[[8-(4-methylphenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-1H-pyrimidine-2,4-dione
CID 136249346
6-[[8-(4-tert-butylphenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanylmethyl]-5-chloro-1H-pyrimidine-2,4-dione
CID 136264432
N-(2,4-Difluorophenyl)-N'-[1-(2-fluorobenzyl)-1H-pyrazol-3-YL]urea
CID 2955816
N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 135412543

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide (CID 135656101) is N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide is O=C(CSc1nc2c(-c3ccc(F)cc3)cnn2c(=O)[nH]1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide?
The InChIKey is SAHKQUSLUAKZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2S/c20-12-3-1-11(2-4-12)15-9-22-26-17(15)24-18(25-19(26)28)29-10-16(27)23-14-7-5-13(21)6-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide has a molecular weight of 413.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[8-(4-fluorophenyl)-4-oxo-3H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 135656101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).