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

C18H26N8O3S — CID 178128867

IUPAC4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(Nc2nc3c(OCC)c(-c4cn[nH]c4)ccn3n2)CC1
InChIInChI=1S/C18H26N8O3S/c1-3-21-30(27,28)25-8-5-14(6-9-25)22-18-23-17-16(29-4-2)15(7-10-26(17)24-18)13-11-19-20-12-13/h7,10-12,14,21H,3-6,8-9H2,1-2H3,(H,19,20)(H,22,24)
InChIKeyLIXIOFYSZHELHI-UHFFFAOYSA-N
MW434.53 g/mol
LogP1.25
Rot. Bonds8

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

4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide (PubChem CID 178128867) has the molecular formula C18H26N8O3S and a molecular weight of 434.53 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]-N-ethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide
PubChem CID178128867
Molecular FormulaC18H26N8O3S
Molecular Weight434.53 g/mol
Exact Mass434.18
IUPAC Name4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCC(Nc2nc3c(OCC)c(-c4cn[nH]c4)ccn3n2)CC1
InChIInChI=1S/C18H26N8O3S/c1-3-21-30(27,28)25-8-5-14(6-9-25)22-18-23-17-16(29-4-2)15(7-10-26(17)24-18)13-11-19-20-12-13/h7,10-12,14,21H,3-6,8-9H2,1-2H3,(H,19,20)(H,22,24)
InChIKeyLIXIOFYSZHELHI-UHFFFAOYSA-N
XLogP1.25
TPSA129.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
(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
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
5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 175814581
5-(2,2-difluoroethoxy)-N-(1-methylsulfonylpiperidin-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 175814644
N-ethyl-4-[[4-(2-methyl-1,3-thiazol-5-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide
CID 169183627
5-[[4-ethoxy-6-[(1-methylsulfonylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
CID 67015901
8-(3,4-difluorophenyl)-N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 58397984
4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
[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

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]-N-ethylpiperidine-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]-N-ethylpiperidine-1-sulfonamide (CID 178128867) is 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-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]-N-ethylpiperidine-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]-N-ethylpiperidine-1-sulfonamide is CCNS(=O)(=O)N1CCC(Nc2nc3c(OCC)c(-c4cn[nH]c4)ccn3n2)CC1.
What is the InChIKey of 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide?
The InChIKey is LIXIOFYSZHELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O3S/c1-3-21-30(27,28)25-8-5-14(6-9-25)22-18-23-17-16(29-4-2)15(7-10-26(17)24-18)13-11-19-20-12-13/h7,10-12,14,21H,3-6,8-9H2,1-2H3,(H,19,20)(H,22,24).
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]-N-ethylpiperidine-1-sulfonamide?
4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-ethylpiperidine-1-sulfonamide has a molecular weight of 434.53 g/mol, XLogP of 1.25, 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]-N-ethylpiperidine-1-sulfonamide is sourced from PubChem (CID 178128867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).