7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine

C16H16ClFN6O2S — CID 168797523

IUPAC7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(S(=O)(=O)N2CC=C(c3cn4ncnc4c(F)c3Cl)CC2)cnn1C
InChIInChI=1S/C16H16ClFN6O2S/c1-10-13(7-20-22(10)2)27(25,26)23-5-3-11(4-6-23)12-8-24-16(19-9-21-24)15(18)14(12)17/h3,7-9H,4-6H2,1-2H3
InChIKeyJTQLAVSPGSGROJ-UHFFFAOYSA-N
MW410.86 g/mol
LogP2.04
Rot. Bonds3

About 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168797523) has the molecular formula C16H16ClFN6O2S and a molecular weight of 410.86 g/mol. Its IUPAC name is 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID168797523
Molecular FormulaC16H16ClFN6O2S
Molecular Weight410.86 g/mol
Exact Mass410.07
IUPAC Name7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(S(=O)(=O)N2CC=C(c3cn4ncnc4c(F)c3Cl)CC2)cnn1C
InChIInChI=1S/C16H16ClFN6O2S/c1-10-13(7-20-22(10)2)27(25,26)23-5-3-11(4-6-23)12-8-24-16(19-9-21-24)15(18)14(12)17/h3,7-9H,4-6H2,1-2H3
InChIKeyJTQLAVSPGSGROJ-UHFFFAOYSA-N
XLogP2.04
TPSA85.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
1-(2,5-dichlorophenyl)sulfonyl-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 19684902
4-(2,3-dimethylphenyl)-1-(1,4-dimethylpyrazol-5-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 138018319
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 168797626
3-[1-(2,5-difluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161192
1-[(2,6-dichlorophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine
CID 22208172
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
3-[1-(3-fluorophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-methylpyrrolo[2,3-b]pyridine
CID 53161189
6-[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 168797680
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
3-[1-(3-chloro-4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1-ethylpyrrolo[2,3-b]pyridine
CID 71840233

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine (CID 168797523) is 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(S(=O)(=O)N2CC=C(c3cn4ncnc4c(F)c3Cl)CC2)cnn1C.
What is the InChIKey of 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JTQLAVSPGSGROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN6O2S/c1-10-13(7-20-22(10)2)27(25,26)23-5-3-11(4-6-23)12-8-24-16(19-9-21-24)15(18)14(12)17/h3,7-9H,4-6H2,1-2H3.
What are the key properties of 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 410.86 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-8-fluoro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168797523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).