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

C24H18N6O2S — CID 93488558

IUPAC2-[[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
SMILESO=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn12)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C24H18N6O2S/c31-21(29-19(12-13-25-29)16-7-2-1-3-8-16)15-33-24-26-18-10-5-4-9-17(18)23-27-22(28-30(23)24)20-11-6-14-32-20/h1-11,13-14,19H,12,15H2/t19-/m1/s1
InChIKeyGDPJFBRBWCKLSK-LJQANCHMSA-N
MW454.52 g/mol
LogP4.59
Rot. Bonds5

About 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

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 (PubChem CID 93488558) has the molecular formula C24H18N6O2S and a molecular weight of 454.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID93488558
Molecular FormulaC24H18N6O2S
Molecular Weight454.52 g/mol
Exact Mass454.12
IUPAC Name2-[[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
SMILESO=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn12)N1N=CC[C@@H]1c1ccccc1
InChIInChI=1S/C24H18N6O2S/c31-21(29-19(12-13-25-29)16-7-2-1-3-8-16)15-33-24-26-18-10-5-4-9-17(18)23-27-22(28-30(23)24)20-11-6-14-32-20/h1-11,13-14,19H,12,15H2/t19-/m1/s1
InChIKeyGDPJFBRBWCKLSK-LJQANCHMSA-N
XLogP4.59
TPSA88.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
N-[(4-fluorophenyl)methyl]-2-[[2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide
CID 71907012
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894
2-(4-methylpyrimidin-2-yl)sulfanyl-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 2950462
2-[2-[(3R)-5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39907865
2-(4,6-dimethylquinazolin-2-yl)sulfanyl-1-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 7268873
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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 2950909
N-(furan-2-ylmethyl)-2-[[2-(2-piperidin-1-ylethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide;hydrochloride
CID 126479090
N-(oxolan-2-ylmethyl)-2-[(2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 4094395
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(CSc1nc2ccccc2c2nc(-c3ccco3)nn12)N1N=CC[C@@H]1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is GDPJFBRBWCKLSK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H18N6O2S/c31-21(29-19(12-13-25-29)16-7-2-1-3-8-16)15-33-24-26-18-10-5-4-9-17(18)23-27-22(28-30(23)24)20-11-6-14-32-20/h1-11,13-14,19H,12,15H2/t19-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 454.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 93488558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).