2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one

C17H19N5O3S — CID 46337808

IUPAC2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
SMILESCC1CCN(C(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)CC1
InChIInChI=1S/C17H19N5O3S/c1-11-4-6-21(7-5-11)15(24)10-26-17-19-16(12-3-2-8-25-12)18-13-9-14(23)20-22(13)17/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,23)
InChIKeyUQLHWQRYHYZSKR-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.03
Rot. Bonds4

About 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one

2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one (PubChem CID 46337808) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
PubChem CID46337808
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
SMILESCC1CCN(C(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)CC1
InChIInChI=1S/C17H19N5O3S/c1-11-4-6-21(7-5-11)15(24)10-26-17-19-16(12-3-2-8-25-12)18-13-9-14(23)20-22(13)17/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,23)
InChIKeyUQLHWQRYHYZSKR-UHFFFAOYSA-N
XLogP2.03
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_pyridine_A(1)', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-1-[2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetyl]piperidine-3-carboxylate
CID 92724243
N-[(4-chlorophenyl)methyl]-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
CID 46337919
N-(3-chloro-4-methoxyphenyl)-2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetamide
CID 20942609
5-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanylmethyl]-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
CID 46337815
2-(4-tert-butylphenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 46337803
2-(4-tert-butylphenyl)-4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one
CID 92724234
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 857600
2-[(7-oxo-2-phenyl-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl)sulfanyl]-N,N-dipropylacetamide
CID 46337717
[3-(furan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 168524923
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135816938
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 7161417
2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 7116654

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
The IUPAC name of 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one (CID 46337808) is 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
The canonical SMILES for 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one is CC1CCN(C(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)CC1.
What is the InChIKey of 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
The InChIKey is UQLHWQRYHYZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-4-6-21(7-5-11)15(24)10-26-17-19-16(12-3-2-8-25-12)18-13-9-14(23)20-22(13)17/h2-3,8-9,11H,4-7,10H2,1H3,(H,20,23).
What are the key properties of 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one?
2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one has a molecular weight of 373.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one is sourced from PubChem (CID 46337808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).