N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide

C25H28N6O2 — CID 170641825

IUPACN-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide
SMILESCOc1nc(NCC2CCC(NC(C)=O)CC2)nn2ccc(-c3ccc4ncccc4c3)c12
InChIInChI=1S/C25H28N6O2/c1-16(32)28-20-8-5-17(6-9-20)15-27-25-29-24(33-2)23-21(11-13-31(23)30-25)18-7-10-22-19(14-18)4-3-12-26-22/h3-4,7,10-14,17,20H,5-6,8-9,15H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyLVYZWOWEYGQKFF-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.06
Rot. Bonds6

About N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide

N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide (PubChem CID 170641825) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide
PubChem CID170641825
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC NameN-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide
SMILESCOc1nc(NCC2CCC(NC(C)=O)CC2)nn2ccc(-c3ccc4ncccc4c3)c12
InChIInChI=1S/C25H28N6O2/c1-16(32)28-20-8-5-17(6-9-20)15-27-25-29-24(33-2)23-21(11-13-31(23)30-25)18-7-10-22-19(14-18)4-3-12-26-22/h3-4,7,10-14,17,20H,5-6,8-9,15H2,1-2H3,(H,27,30)(H,28,32)
InChIKeyLVYZWOWEYGQKFF-UHFFFAOYSA-N
XLogP4.06
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide with MolForge

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Related Compounds

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-[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
4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
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-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclobutyl] N-tert-butylcarbamate
CID 170643101
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
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
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-[(6-fluoro-4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170641750
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
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-[(3R,4S)-3-fluoro-4-[[4-methoxy-5-[3-(2,2,2-trifluoroethyl)benzotriazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 170643058

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide (CID 170641825) is N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide is COc1nc(NCC2CCC(NC(C)=O)CC2)nn2ccc(-c3ccc4ncccc4c3)c12.
What is the InChIKey of N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide?
The InChIKey is LVYZWOWEYGQKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-16(32)28-20-8-5-17(6-9-20)15-27-25-29-24(33-2)23-21(11-13-31(23)30-25)18-7-10-22-19(14-18)4-3-12-26-22/h3-4,7,10-14,17,20H,5-6,8-9,15H2,1-2H3,(H,27,30)(H,28,32).
What are the key properties of N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide?
N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide has a molecular weight of 444.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methoxy-5-quinolin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 170641825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).