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

C58H52Cl3F9N20O5 — CID 167693246

IUPAC2-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
SMILESClc1nc(Cl)c2cccn2n1.FC(F)(F)Oc1cccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.Nc1cn(-c2cccc(OC(F)(F)F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccc(OC(F)(F)F)c3)cn2)c2cccn2n1
InChIInChI=1S/C21H20F3N7O2.C16H10ClF3N6O.C10H8F3N3O.C6H3Cl2N3.C5H11NO/c22-21(23,24)33-16-6-1-4-14(10-16)29-11-18(25-13-29)26-19-17-7-3-9-31(17)28-20(27-19)30-8-2-5-15(30)12-32;17-15-23-14(12-5-2-6-26(12)24-15)22-13-8-25(9-21-13)10-3-1-4-11(7-10)27-16(18,19)20;11-10(12,13)17-8-3-1-2-7(4-8)16-5-9(14)15-6-16;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1,3-4,6-7,9-11,13,15,32H,2,5,8,12H2,(H,26,27,28);1-9H,(H,22,23,24);1-6H,14H2;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
InChIKeyXGNBGWOTCOEKJK-HIKDPHHVSA-N
MW1386.53 g/mol
LogP11.85
Rot. Bonds13

About 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

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 (PubChem CID 167693246) has the molecular formula C58H52Cl3F9N20O5 and a molecular weight of 1386.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID167693246
Molecular FormulaC58H52Cl3F9N20O5
Molecular Weight1386.53 g/mol
Exact Mass1384.34
IUPAC Name2-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
SMILESClc1nc(Cl)c2cccn2n1.FC(F)(F)Oc1cccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.Nc1cn(-c2cccc(OC(F)(F)F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccc(OC(F)(F)F)c3)cn2)c2cccn2n1
InChIInChI=1S/C21H20F3N7O2.C16H10ClF3N6O.C10H8F3N3O.C6H3Cl2N3.C5H11NO/c22-21(23,24)33-16-6-1-4-14(10-16)29-11-18(25-13-29)26-19-17-7-3-9-31(17)28-20(27-19)30-8-2-5-15(30)12-32;17-15-23-14(12-5-2-6-26(12)24-15)22-13-8-25(9-21-13)10-3-1-4-11(7-10)27-16(18,19)20;11-10(12,13)17-8-3-1-2-7(4-8)16-5-9(14)15-6-16;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1,3-4,6-7,9-11,13,15,32H,2,5,8,12H2,(H,26,27,28);1-9H,(H,22,23,24);1-6H,14H2;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
InChIKeyXGNBGWOTCOEKJK-HIKDPHHVSA-N
XLogP11.85
TPSA277.53 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001386.53
LogP ≤ 511.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(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 137363532
[(2S)-1-[2-[[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol
CID 137363083
(S)-(1-(4-((1-(3-chloro-5-methoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)pyrrolidin-2-yl)methanol
CID 137363104
(S)-(1-(2-((1-(3-chloro-5-methoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl)methanol
CID 142498154
(S)-(1-(2-((1-(4-chloro-3-methoxyphenyl)-1H-imidazol-4-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl)methanol
CID 137363634
[1-[2-[[1-[3-(Trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol
CID 137363085
[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 137363535
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;[6-fluoro-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159204752
2-chloro-N-[1-[3-methyl-5-(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;1-[3-methyl-5-(trifluoromethoxy)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[3-methyl-5-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
CID 167546762
[(2S)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-2-yl]methanol;[(2S)-1-[2-[[1-(3-methylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-2-yl]methanol;1-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 167549187
2-chloro-N-[1-[4-(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;1,4-dinitroimidazole;methanol;molecular hydrogen;4-nitro-1-[4-(trifluoromethoxy)phenyl]imidazole;[(2S)-pyrrolidin-2-yl]methanol;4-(trifluoromethoxy)aniline;1-[4-(trifluoromethoxy)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol
CID 167608003
3-bromo-4-(trifluoromethoxy)aniline;1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazol-4-amine;[(2S)-1-[4-[[1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;N-[1-[3-bromo-4-(trifluoromethoxy)phenyl]imidazol-4-yl]-2-chloropyrrolo[2,1-f][1,2,4]triazin-4-amine;1-[3-bromo-4-(trifluoromethoxy)phenyl]-4-nitroimidazole;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1,4-dinitroimidazole;methanol;molecular hydrogen;[(2S)-pyrrolidin-2-yl]methanol
CID 167631211

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1nc(Cl)c2cccn2n1.FC(F)(F)Oc1cccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.Nc1cn(-c2cccc(OC(F)(F)F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccc(OC(F)(F)F)c3)cn2)c2cccn2n1.
What is the InChIKey of 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?
The InChIKey is XGNBGWOTCOEKJK-HIKDPHHVSA-N. The full InChI is InChI=1S/C21H20F3N7O2.C16H10ClF3N6O.C10H8F3N3O.C6H3Cl2N3.C5H11NO/c22-21(23,24)33-16-6-1-4-14(10-16)29-11-18(25-13-29)26-19-17-7-3-9-31(17)28-20(27-19)30-8-2-5-15(30)12-32;17-15-23-14(12-5-2-6-26(12)24-15)22-13-8-25(9-21-13)10-3-1-4-11(7-10)27-16(18,19)20;11-10(12,13)17-8-3-1-2-7(4-8)16-5-9(14)15-6-16;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h1,3-4,6-7,9-11,13,15,32H,2,5,8,12H2,(H,26,27,28);1-9H,(H,22,23,24);1-6H,14H2;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.
What are the key properties of 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?
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 has a molecular weight of 1386.53 g/mol, XLogP of 11.85, 13 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167693246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).