2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

C55H49Cl3F6N20O2 — CID 167602720

IUPAC2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
SMILESClc1nc(Cl)c2cccn2n1.Fc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1F.Nc1cn(-c2ccc(F)c(F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(F)c(F)c3)cn2)c2cccn2n1
InChIInChI=1S/C20H19F2N7O.C15H9ClF2N6.C9H7F2N3.C6H3Cl2N3.C5H11NO/c21-15-6-5-13(9-16(15)22)27-10-18(23-12-27)24-19-17-4-2-8-29(17)26-20(25-19)28-7-1-3-14(28)11-30;16-15-21-14(12-2-1-5-24(12)22-15)20-13-7-23(8-19-13)9-3-4-10(17)11(18)6-9;10-7-2-1-6(3-8(7)11)14-4-9(12)13-5-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-6,8-10,12,14,30H,1,3,7,11H2,(H,24,25,26);1-8H,(H,20,21,22);1-5H,12H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1
InChIKeyJYNDENQOKVUERU-YACGQVLNSA-N
MW1242.48 g/mol
LogP9.99
Rot. Bonds10

About 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167602720) has the molecular formula C55H49Cl3F6N20O2 and a molecular weight of 1242.48 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167602720
Molecular FormulaC55H49Cl3F6N20O2
Molecular Weight1242.48 g/mol
Exact Mass1240.33
IUPAC Name2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
SMILESClc1nc(Cl)c2cccn2n1.Fc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1F.Nc1cn(-c2ccc(F)c(F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(F)c(F)c3)cn2)c2cccn2n1
InChIInChI=1S/C20H19F2N7O.C15H9ClF2N6.C9H7F2N3.C6H3Cl2N3.C5H11NO/c21-15-6-5-13(9-16(15)22)27-10-18(23-12-27)24-19-17-4-2-8-29(17)26-20(25-19)28-7-1-3-14(28)11-30;16-15-21-14(12-2-1-5-24(12)22-15)20-13-7-23(8-19-13)9-3-4-10(17)11(18)6-9;10-7-2-1-6(3-8(7)11)14-4-9(12)13-5-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-6,8-10,12,14,30H,1,3,7,11H2,(H,24,25,26);1-8H,(H,20,21,22);1-5H,12H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1
InChIKeyJYNDENQOKVUERU-YACGQVLNSA-N
XLogP9.99
TPSA249.84 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001242.48
LogP ≤ 59.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

((S)-1-(4-((1-(3-fluoro-5-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)phenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363511
(S)-(1-(4-((1-(3,4-difluorophenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 142497922
(S)-(1-(4-((1'-cyclohexyl-1′H-[1,4'-biimidazol]-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363675
(S)-(1-(4-((1-(4-chlorophenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 142498013
1-[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]ethenol
CID 142497904
2-chloro-N-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol;1-[3-(trifluoromethoxy)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 167693246
[1-[3-Fluoro-5-[4-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol
CID 169726738
[1-[4-[[1-(3,4-Difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 169727032
[(2S)-1-[4-[[1-(3,5-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 172540667
(2R)-2-[[4-(benzylamino)-7-methylpyrrolo[2,3-d]pyrimidin-2-yl]amino]butan-1-ol;(2R)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]-methylamino]butan-1-ol;N-benzyl-6-chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-benzyl-6-chloro-2-methylpyrazolo[3,4-d]pyrimidin-4-amine;2-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-9-methylpurin-6-amine
CID 159485774
N-benzyl-9-propan-2-ylpurin-6-amine;6-chloro-9-propan-2-ylpurine;N,N-dimethyl-9-propan-2-ylpurin-6-amine;2-fluoro-9-propan-2-ylpurin-6-amine;8-fluoro-9-propan-2-ylpurin-6-amine;5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-yl-5H-cyclopenta[d]pyrimidin-4-amine;7-propan-2-ylimidazo[2,1-f][1,2,4]triazin-4-amine;9-propan-2-yl-N-propylpurin-6-amine;9-propan-2-ylpurin-6-amine;2-[(9-propan-2-ylpurin-6-yl)amino]ethanol;8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine;3-propan-2-yl-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-amine
CID 160091687
2-[[(2E)-1-amino-2-(methylamino)-2-(1H-pyridin-2-ylidene)ethylidene]amino]ethyl-(2-hydroxyethyl)-dimethylazanium;2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-ethyl-dimethylazanium;2-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]ethyl-trimethylazanium;3-[(3-aminopyrazolo[1,5-a]pyridin-2-yl)amino]propyl-trimethylazanium;carbanide;2-(3-methylimidazol-3-ium-1-yl)pyrazolo[1,5-a]pyridin-3-amine
CID 160399453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167602720) is 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is Clc1nc(Cl)c2cccn2n1.Fc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1F.Nc1cn(-c2ccc(F)c(F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(F)c(F)c3)cn2)c2cccn2n1.
What is the InChIKey of 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is JYNDENQOKVUERU-YACGQVLNSA-N. The full InChI is InChI=1S/C20H19F2N7O.C15H9ClF2N6.C9H7F2N3.C6H3Cl2N3.C5H11NO/c21-15-6-5-13(9-16(15)22)27-10-18(23-12-27)24-19-17-4-2-8-29(17)26-20(25-19)28-7-1-3-14(28)11-30;16-15-21-14(12-2-1-5-24(12)22-15)20-13-7-23(8-19-13)9-3-4-10(17)11(18)6-9;10-7-2-1-6(3-8(7)11)14-4-9(12)13-5-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-6,8-10,12,14,30H,1,3,7,11H2,(H,24,25,26);1-8H,(H,20,21,22);1-5H,12H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m0...0/s1.
What are the key properties of 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol?
2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1242.48 g/mol, XLogP of 9.99, 10 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,4-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,4-difluorophenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3,4-difluorophenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).