(2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C18H18FN5O3S — CID 16670345

IUPAC(2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cnc2ncnn2c1C1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C18H18FN5O3S/c1-28(26,27)15-9-20-18-21-11-22-24(18)16(15)12-5-4-8-23(10-12)17(25)13-6-2-3-7-14(13)19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3
InChIKeyLZGCOQLRIKNWNL-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.69
Rot. Bonds3

About (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

(2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 16670345) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID16670345
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC Name(2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCS(=O)(=O)c1cnc2ncnn2c1C1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C18H18FN5O3S/c1-28(26,27)15-9-20-18-21-11-22-24(18)16(15)12-5-4-8-23(10-12)17(25)13-6-2-3-7-14(13)19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3
InChIKeyLZGCOQLRIKNWNL-UHFFFAOYSA-N
XLogP1.69
TPSA97.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 16670345) is (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is CS(=O)(=O)c1cnc2ncnn2c1C1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is LZGCOQLRIKNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-28(26,27)15-9-20-18-21-11-22-24(18)16(15)12-5-4-8-23(10-12)17(25)13-6-2-3-7-14(13)19/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3.
What are the key properties of (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 403.44 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(6-methylsulfonyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 16670345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).