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

C21H30N8O3S — CID 178128884

IUPAC9-[[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
SMILESCCOc1c(-c2cn[nH]c2)ccn2nc(NC3CCN(S(=O)(=O)N(C)C)CC34CCC4)nc12
InChIInChI=1S/C21H30N8O3S/c1-4-32-18-16(15-12-22-23-13-15)6-11-29-19(18)25-20(26-29)24-17-7-10-28(33(30,31)27(2)3)14-21(17)8-5-9-21/h6,11-13,17H,4-5,7-10,14H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyLASDOXDRIHZXAE-UHFFFAOYSA-N
MW474.59 g/mol
LogP1.98
Rot. Bonds7

About 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

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 (PubChem CID 178128884) has the molecular formula C21H30N8O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[[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
PubChem CID178128884
Molecular FormulaC21H30N8O3S
Molecular Weight474.59 g/mol
Exact Mass474.22
IUPAC Name9-[[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
SMILESCCOc1c(-c2cn[nH]c2)ccn2nc(NC3CCN(S(=O)(=O)N(C)C)CC34CCC4)nc12
InChIInChI=1S/C21H30N8O3S/c1-4-32-18-16(15-12-22-23-13-15)6-11-29-19(18)25-20(26-29)24-17-7-10-28(33(30,31)27(2)3)14-21(17)8-5-9-21/h6,11-13,17H,4-5,7-10,14H2,1-3H3,(H,22,23)(H,24,26)
InChIKeyLASDOXDRIHZXAE-UHFFFAOYSA-N
XLogP1.98
TPSA120.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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]-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]-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
8-ethoxy-N-(oxan-4-yl)-7-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 172627612
5-[3-(2,2-difluoroethyl)-7-fluorobenzimidazol-5-yl]-N-(3,3-difluoro-1-methylsulfonylpiperidin-4-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803461
N,N-dimethyl-4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine-6-sulfonamide
CID 131648028
[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
(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
N-(3,3-difluoro-1-methylsulfonylpiperidin-4-yl)-5-[3-(3,3-difluoropropyl)benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 176803681
(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide
CID 124798897
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1c(-c2cn[nH]c2)ccn2nc(NC3CCN(S(=O)(=O)N(C)C)CC34CCC4)nc12.
What is the InChIKey of 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?
The InChIKey is LASDOXDRIHZXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N8O3S/c1-4-32-18-16(15-12-22-23-13-15)6-11-29-19(18)25-20(26-29)24-17-7-10-28(33(30,31)27(2)3)14-21(17)8-5-9-21/h6,11-13,17H,4-5,7-10,14H2,1-3H3,(H,22,23)(H,24,26).
What are the key properties of 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?
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 has a molecular weight of 474.59 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 178128884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).