4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide

C17H23FN8O3S — CID 178128877

IUPAC4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide
SMILES[2H]C([2H])([2H])NS(=O)(=O)N1CCC(Nc2nc3c(OCC)c(-c4cn[nH]c4)ccn3n2)C(F)C1
InChIInChI=1S/C17H23FN8O3S/c1-3-29-15-12(11-8-20-21-9-11)4-7-26-16(15)23-17(24-26)22-14-5-6-25(10-13(14)18)30(27,28)19-2/h4,7-9,13-14,19H,3,5-6,10H2,1-2H3,(H,20,21)(H,22,24)/i2D3
InChIKeyURLVVUYJHXZOEI-BMSJAHLVSA-N
MW441.51 g/mol
LogP0.81
Rot. Bonds8

About 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide

4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide (PubChem CID 178128877) has the molecular formula C17H23FN8O3S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide
PubChem CID178128877
Molecular FormulaC17H23FN8O3S
Molecular Weight441.51 g/mol
Exact Mass441.18
IUPAC Name4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide
SMILES[2H]C([2H])([2H])NS(=O)(=O)N1CCC(Nc2nc3c(OCC)c(-c4cn[nH]c4)ccn3n2)C(F)C1
InChIInChI=1S/C17H23FN8O3S/c1-3-29-15-12(11-8-20-21-9-11)4-7-26-16(15)23-17(24-26)22-14-5-6-25(10-13(14)18)30(27,28)19-2/h4,7-9,13-14,19H,3,5-6,10H2,1-2H3,(H,20,21)(H,22,24)/i2D3
InChIKeyURLVVUYJHXZOEI-BMSJAHLVSA-N
XLogP0.81
TPSA129.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide with MolForge

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Related Compounds

(3R,4S,5S)-5-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-1-methylsulfonylazepan-3-ol
CID 174112367
4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide
CID 178128867
4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpiperidine-1-sulfonamide
CID 178128875
9-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethyl-6-azaspiro[3.5]nonane-6-sulfonamide
CID 178128884
8-ethoxy-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 172627612
2-N-[(3S,4S)-3-fluorooxan-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2,8-diamine
CID 177003670
7-(3-fluoroazepan-4-yl)-N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 178081157
7-(3-fluoro-1-methylazepan-4-yl)-N-[(3R,4R)-3-fluoro-1-methylsulfonylpiperidin-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 178081158
(3R)-1-[2-[[(3S,4S)-3-fluorooxan-4-yl]amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-3-methylpyrrolidin-3-ol
CID 177003530
[4-[2-[(2,3-dimethyl-4-pyridinyl)amino]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-fluorophenyl]methanol
CID 166570951
N-[(3S,4S)-3-fluorooxan-4-yl]-8-(7-oxa-1-azaspiro[3.4]octan-1-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 177003450
5-(4,4-difluorocyclohexyl)oxy-N-[(3R,4S)-3-methyl-1-methylsulfonylpiperidin-4-yl]-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 175814727

Frequently Asked Questions

What is the IUPAC name of 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide (CID 178128877) is 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide is [2H]C([2H])([2H])NS(=O)(=O)N1CCC(Nc2nc3c(OCC)c(-c4cn[nH]c4)ccn3n2)C(F)C1.
What is the InChIKey of 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide?
The InChIKey is URLVVUYJHXZOEI-BMSJAHLVSA-N. The full InChI is InChI=1S/C17H23FN8O3S/c1-3-29-15-12(11-8-20-21-9-11)4-7-26-16(15)23-17(24-26)22-14-5-6-25(10-13(14)18)30(27,28)19-2/h4,7-9,13-14,19H,3,5-6,10H2,1-2H3,(H,20,21)(H,22,24)/i2D3.
What are the key properties of 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide?
4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide has a molecular weight of 441.51 g/mol, XLogP of 0.81, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 178128877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).