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

C18H26N8O3S — CID 178128875

IUPAC4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCCOc1c(-c2cn[nH]c2)ccn2nc(NC3CCN(S(=O)(=O)N(C)C)CC3)nc12
InChIInChI=1S/C18H26N8O3S/c1-4-29-16-15(13-11-19-20-12-13)7-10-26-17(16)22-18(23-26)21-14-5-8-25(9-6-14)30(27,28)24(2)3/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyFIMHGOCZXQJFSA-UHFFFAOYSA-N
MW434.53 g/mol
LogP1.20
Rot. Bonds7

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

4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 178128875) 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,N-dimethylpiperidine-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,N-dimethylpiperidine-1-sulfonamide
PubChem CID178128875
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,N-dimethylpiperidine-1-sulfonamide
SMILESCCOc1c(-c2cn[nH]c2)ccn2nc(NC3CCN(S(=O)(=O)N(C)C)CC3)nc12
InChIInChI=1S/C18H26N8O3S/c1-4-29-16-15(13-11-19-20-12-13)7-10-26-17(16)22-18(23-26)21-14-5-8-25(9-6-14)30(27,28)24(2)3/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,19,20)(H,21,23)
InChIKeyFIMHGOCZXQJFSA-UHFFFAOYSA-N
XLogP1.20
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 51.20
H-Bond Donors ≤ 52
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-ethylpiperidine-1-sulfonamide
CID 178128867
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
(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]-3-fluoro-N-(trideuteriomethyl)piperidine-1-sulfonamide
CID 178128877
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,N-dimethyl-4-(2-methylanilino)piperidine-1-sulfonamide
CID 51106183
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
N,N-dimethyl-4-(1,3-thiazol-2-ylamino)piperidine-1-sulfonamide
CID 166226223
N,N-dimethyl-4-quinoxalin-2-yloxypiperidine-1-sulfonamide
CID 90560109

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,N-dimethylpiperidine-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,N-dimethylpiperidine-1-sulfonamide (CID 178128875) is 4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpiperidine-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,N-dimethylpiperidine-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,N-dimethylpiperidine-1-sulfonamide is CCOc1c(-c2cn[nH]c2)ccn2nc(NC3CCN(S(=O)(=O)N(C)C)CC3)nc12.
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,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is FIMHGOCZXQJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O3S/c1-4-29-16-15(13-11-19-20-12-13)7-10-26-17(16)22-18(23-26)21-14-5-8-25(9-6-14)30(27,28)24(2)3/h7,10-12,14H,4-6,8-9H2,1-3H3,(H,19,20)(H,21,23).
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,N-dimethylpiperidine-1-sulfonamide?
4-[[8-ethoxy-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 434.53 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 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,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 178128875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).