4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol

C55H55Cl3N20O5 — CID 167652016

IUPAC4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol
SMILESClc1nc(Cl)c2cccn2n1.Nc1cn(-c2ccc(O)cc2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(O)cc3)cn2)c2cccn2n1.Oc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1
InChIInChI=1S/C20H21N7O2.C15H11ClN6O.C9H9N3O.C6H3Cl2N3.C5H11NO/c28-12-15-3-1-9-26(15)20-23-19(17-4-2-10-27(17)24-20)22-18-11-25(13-21-18)14-5-7-16(29)8-6-14;16-15-19-14(12-2-1-7-22(12)20-15)18-13-8-21(9-17-13)10-3-5-11(23)6-4-10;10-9-5-12(6-11-9)7-1-3-8(13)4-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-8,10-11,13,15,28-29H,1,3,9,12H2,(H,22,23,24);1-9,23H,(H,18,19,20);1-6,13H,10H2;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
InChIKeyQSGOFNHQXZZCCO-HIKDPHHVSA-N
MW1182.54 g/mol
LogP8.27
Rot. Bonds10

About 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol

4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167652016) has the molecular formula C55H55Cl3N20O5 and a molecular weight of 1182.54 g/mol. Its IUPAC name is 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167652016
Molecular FormulaC55H55Cl3N20O5
Molecular Weight1182.54 g/mol
Exact Mass1180.37
IUPAC Name4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol
SMILESClc1nc(Cl)c2cccn2n1.Nc1cn(-c2ccc(O)cc2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(O)cc3)cn2)c2cccn2n1.Oc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1
InChIInChI=1S/C20H21N7O2.C15H11ClN6O.C9H9N3O.C6H3Cl2N3.C5H11NO/c28-12-15-3-1-9-26(15)20-23-19(17-4-2-10-27(17)24-20)22-18-11-25(13-21-18)14-5-7-16(29)8-6-14;16-15-19-14(12-2-1-7-22(12)20-15)18-13-8-21(9-17-13)10-3-5-11(23)6-4-10;10-9-5-12(6-11-9)7-1-3-8(13)4-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-8,10-11,13,15,28-29H,1,3,9,12H2,(H,22,23,24);1-9,23H,(H,18,19,20);1-6,13H,10H2;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
InChIKeyQSGOFNHQXZZCCO-HIKDPHHVSA-N
XLogP8.27
TPSA310.53 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001182.54
LogP ≤ 58.27
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol (CID 167652016) is 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol is Clc1nc(Cl)c2cccn2n1.Nc1cn(-c2ccc(O)cc2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccc(O)cc3)cn2)c2cccn2n1.Oc1ccc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)cc1.
What is the InChIKey of 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is QSGOFNHQXZZCCO-HIKDPHHVSA-N. The full InChI is InChI=1S/C20H21N7O2.C15H11ClN6O.C9H9N3O.C6H3Cl2N3.C5H11NO/c28-12-15-3-1-9-26(15)20-23-19(17-4-2-10-27(17)24-20)22-18-11-25(13-21-18)14-5-7-16(29)8-6-14;16-15-19-14(12-2-1-7-22(12)20-15)18-13-8-21(9-17-13)10-3-5-11(23)6-4-10;10-9-5-12(6-11-9)7-1-3-8(13)4-2-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4-8,10-11,13,15,28-29H,1,3,9,12H2,(H,22,23,24);1-9,23H,(H,18,19,20);1-6,13H,10H2;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.
What are the key properties of 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol?
4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1182.54 g/mol, XLogP of 8.27, 10 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoimidazol-1-yl)phenol;4-[4-[(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]imidazol-1-yl]phenol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;4-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167652016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).