1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone

C20H22N8O2 — CID 170642523

IUPAC1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
SMILES[2H]C([2H])([2H])Oc1nc(NC2CCN(C(C)=O)CC2)nn2ccc(-c3ccc4ncnn4c3)c12
InChIInChI=1S/C20H22N8O2/c1-13(29)26-8-5-15(6-9-26)23-20-24-19(30-2)18-16(7-10-27(18)25-20)14-3-4-17-21-12-22-28(17)11-14/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,23,25)/i2D3
InChIKeyZNCBWSSIQWUOSP-BMSJAHLVSA-N
MW409.47 g/mol
LogP1.87
Rot. Bonds5

About 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 170642523) has the molecular formula C20H22N8O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID170642523
Molecular FormulaC20H22N8O2
Molecular Weight409.47 g/mol
Exact Mass409.21
IUPAC Name1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
SMILES[2H]C([2H])([2H])Oc1nc(NC2CCN(C(C)=O)CC2)nn2ccc(-c3ccc4ncnn4c3)c12
InChIInChI=1S/C20H22N8O2/c1-13(29)26-8-5-15(6-9-26)23-20-24-19(30-2)18-16(7-10-27(18)25-20)14-3-4-17-21-12-22-28(17)11-14/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,23,25)/i2D3
InChIKeyZNCBWSSIQWUOSP-BMSJAHLVSA-N
XLogP1.87
TPSA101.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
CID 170657276
1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 170642298
1-[3-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]azetidin-1-yl]ethanone
CID 170641808
1-[4-[[4-(2,2-difluoroethoxy)-5-[6-(ethenylamino)-3-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 170642006
2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 170642062
6-[2-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642352
1-[(3S)-3-[[4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrrolidin-1-yl]ethanone
CID 170642437
4-[[4-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 170643129
6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170657324
4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
1-[(3S,4R)-3-fluoro-4-[(5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 170641792
N-(3-ethylcyclobutyl)-6-fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642881

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone (CID 170642523) is 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone is [2H]C([2H])([2H])Oc1nc(NC2CCN(C(C)=O)CC2)nn2ccc(-c3ccc4ncnn4c3)c12.
What is the InChIKey of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is ZNCBWSSIQWUOSP-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-13(29)26-8-5-15(6-9-26)23-20-24-19(30-2)18-16(7-10-27(18)25-20)14-3-4-17-21-12-22-28(17)11-14/h3-4,7,10-12,15H,5-6,8-9H2,1-2H3,(H,23,25)/i2D3.
What are the key properties of 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 409.47 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 170642523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).