6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C17H18F4N6O2S — CID 168797567

IUPAC6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1(F)CCN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1
InChIInChI=1S/C17H18F4N6O2S/c1-11-7-14-22-10-24-27(14)9-12(11)16(18)3-5-26(6-4-16)30(28,29)13-8-23-25(2)15(13)17(19,20)21/h7-10H,3-6H2,1-2H3
InChIKeyHLTWCDNRCSFLJJ-UHFFFAOYSA-N
MW446.43 g/mol
LogP2.44
Rot. Bonds3

About 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797567) has the molecular formula C17H18F4N6O2S and a molecular weight of 446.43 g/mol. Its IUPAC name is 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797567
Molecular FormulaC17H18F4N6O2S
Molecular Weight446.43 g/mol
Exact Mass446.11
IUPAC Name6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2ncnn2cc1C1(F)CCN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1
InChIInChI=1S/C17H18F4N6O2S/c1-11-7-14-22-10-24-27(14)9-12(11)16(18)3-5-26(6-4-16)30(28,29)13-8-23-25(2)15(13)17(19,20)21/h7-10H,3-6H2,1-2H3
InChIKeyHLTWCDNRCSFLJJ-UHFFFAOYSA-N
XLogP2.44
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-2-methyl-1,3-oxazole
CID 168797662
5-[4-fluoro-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-3-methyl-1,2-thiazole
CID 168797558
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
2-[4-[4-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidin-1-yl]sulfonyl-1-methylpyrazol-5-yl]acetonitrile
CID 168797792
7-chloro-6-[1-(5-methoxy-1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168797755
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 168797619
7-methyl-6-(1-pyrazolo[1,5-a]pyrimidin-3-ylsulfonylpiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168797888
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 168797680
7-methyl-6-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168798158
CID 174079155
CID 174079155
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(trifluoromethyl)azepan-4-ol
CID 138041152
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 168797567) is 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2ncnn2cc1C1(F)CCN(S(=O)(=O)c2cnn(C)c2C(F)(F)F)CC1.
What is the InChIKey of 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is HLTWCDNRCSFLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N6O2S/c1-11-7-14-22-10-24-27(14)9-12(11)16(18)3-5-26(6-4-16)30(28,29)13-8-23-25(2)15(13)17(19,20)21/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 446.43 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-1-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).