N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

C22H21N7O2 — CID 170641951

IUPACN-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCOc1nc(NC23CC(NC(C)=O)(C2)C3)nn2ccc(-c3ccc4nccnc4c3)c12
InChIInChI=1S/C22H21N7O2/c1-13(30)26-21-10-22(11-21,12-21)27-20-25-19(31-2)18-15(5-8-29(18)28-20)14-3-4-16-17(9-14)24-7-6-23-16/h3-9H,10-12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyVMBTYUBWTGMBKX-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.57
Rot. Bonds5

About N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide

N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 170641951) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID170641951
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC NameN-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESCOc1nc(NC23CC(NC(C)=O)(C2)C3)nn2ccc(-c3ccc4nccnc4c3)c12
InChIInChI=1S/C22H21N7O2/c1-13(30)26-21-10-22(11-21,12-21)27-20-25-19(31-2)18-15(5-8-29(18)28-20)14-3-4-16-17(9-14)24-7-6-23-16/h3-9H,10-12H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyVMBTYUBWTGMBKX-UHFFFAOYSA-N
XLogP2.57
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

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Related Compounds

4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] N-tert-butylcarbamate
CID 170643101
4-methoxy-N-(7-oxaspiro[3.5]nonan-2-yl)-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642516
N-[[(3S)-4,4-difluoro-1-methylpyrrolidin-3-yl]methyl]-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642443
N-[(3R,4S)-4-fluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642163
N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide
CID 170641825
N-[3-[[5-(3-ethylbenzotriazol-5-yl)-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 174159997
N-[3-[[5-[3-(2-fluoroethyl)benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 171034168
N-[3-[[5-[3-(2,2-difluoroethyl)-2-methylbenzimidazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutyl]acetamide
CID 171034162
N-[4-[(6-fluoro-4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]acetamide
CID 170642459
3-[[4-methoxy-5-(3-methylbenzotriazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclobutan-1-ol
CID 170657492
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 170641951) is N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is COc1nc(NC23CC(NC(C)=O)(C2)C3)nn2ccc(-c3ccc4nccnc4c3)c12.
What is the InChIKey of N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is VMBTYUBWTGMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-13(30)26-21-10-22(11-21,12-21)27-20-25-19(31-2)18-15(5-8-29(18)28-20)14-3-4-16-17(9-14)24-7-6-23-16/h3-9H,10-12H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide?
N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 415.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 170641951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).