furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C16H17N5O4S — CID 16670400

IUPACfuran-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17N5O4S/c1-26(23,24)13-9-17-16-18-10-19-21(16)14(13)11-4-6-20(7-5-11)15(22)12-3-2-8-25-12/h2-3,8-11H,4-7H2,1H3
InChIKeyJIYRSBVZRUJJHF-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.14
Rot. Bonds3

About furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 16670400) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID16670400
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC Namefuran-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H17N5O4S/c1-26(23,24)13-9-17-16-18-10-19-21(16)14(13)11-4-6-20(7-5-11)15(22)12-3-2-8-25-12/h2-3,8-11H,4-7H2,1H3
InChIKeyJIYRSBVZRUJJHF-UHFFFAOYSA-N
XLogP1.14
TPSA110.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-yl)-1-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 16670424
[(3R)-3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(5-propylfuran-2-yl)methanone
CID 95797648
furan-2-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 110225724
furan-2-yl-[(3S)-3-(5-methylsulfonyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95802825
furan-2-yl-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]piperidin-1-yl]methanone
CID 18150145
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 71907901
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
(2,3-dimethyl-4-pyridinyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 110854793
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 71846455
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 16670400) is furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is CS(=O)(=O)c1cnc2ncnn2c1C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is JIYRSBVZRUJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c1-26(23,24)13-9-17-16-18-10-19-21(16)14(13)11-4-6-20(7-5-11)15(22)12-3-2-8-25-12/h2-3,8-11H,4-7H2,1H3.
What are the key properties of furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 375.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).