1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone

C25H19N7OS — CID 43864559

IUPAC1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc2ccccc2c2nc(-c3ccncc3)nn12)N1N=CCC1c1ccccc1
InChIInChI=1S/C25H19N7OS/c33-22(31-21(12-15-27-31)17-6-2-1-3-7-17)16-34-25-28-20-9-5-4-8-19(20)24-29-23(30-32(24)25)18-10-13-26-14-11-18/h1-11,13-15,21H,12,16H2
InChIKeyBWVRTLVGZYRURT-UHFFFAOYSA-N
MW465.54 g/mol
LogP4.39
Rot. Bonds5

About 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone

1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone (PubChem CID 43864559) has the molecular formula C25H19N7OS and a molecular weight of 465.54 g/mol. Its IUPAC name is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
PubChem CID43864559
Molecular FormulaC25H19N7OS
Molecular Weight465.54 g/mol
Exact Mass465.14
IUPAC Name1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
SMILESO=C(CSc1nc2ccccc2c2nc(-c3ccncc3)nn12)N1N=CCC1c1ccccc1
InChIInChI=1S/C25H19N7OS/c33-22(31-21(12-15-27-31)17-6-2-1-3-7-17)16-34-25-28-20-9-5-4-8-19(20)24-29-23(30-32(24)25)18-10-13-26-14-11-18/h1-11,13-15,21H,12,16H2
InChIKeyBWVRTLVGZYRURT-UHFFFAOYSA-N
XLogP4.39
TPSA88.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone with MolForge

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Related Compounds

2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93488549
2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 93488558
1-(4-methoxyphenyl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone
CID 16585536
5-(2-methylpropylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16585535
3-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]propanenitrile
CID 17168771
5-[(2-chlorophenyl)methylsulfanyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16585526
5-(2-piperidin-1-ylethylsulfanyl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 16584668
2-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 2950462
N-(oxolan-2-ylmethyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4094395
3-(4-tert-butylphenyl)-6-[2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-[1,2,4]triazino[2,3-c]quinazolin-2-one
CID 99798212
2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3511067
2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 7268873

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
The IUPAC name of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone (CID 43864559) is 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone is O=C(CSc1nc2ccccc2c2nc(-c3ccncc3)nn12)N1N=CCC1c1ccccc1.
What is the InChIKey of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
The InChIKey is BWVRTLVGZYRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7OS/c33-22(31-21(12-15-27-31)17-6-2-1-3-7-17)16-34-25-28-20-9-5-4-8-19(20)24-29-23(30-32(24)25)18-10-13-26-14-11-18/h1-11,13-15,21H,12,16H2.
What are the key properties of 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone?
1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone has a molecular weight of 465.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-3,4-dihydropyrazol-2-yl)-2-[(2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]ethanone is sourced from PubChem (CID 43864559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).