(3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C54H63Cl3N18O7 — CID 167608492

About (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

(3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167608492) has the molecular formula C54H63Cl3N18O7 and a molecular weight of 1182.58 g/mol. Its IUPAC name is (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167608492
• Molecular Formula: C54H63Cl3N18O7
• Molecular Weight: 1182.58 g/mol
• Exact Mass: 1180.42
• IUPAC Name: (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CC[C@@H](O)C4)c4cccn4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccn2n1.O[C@@H]1CCN(c2nc(Cl)nn3cccc23)C1.O[C@@H]1CCNC1
• InChI: InChI=1S/C22H25N7O2.C12H15N3O3.C10H11ClN4O.C6H3Cl2N3.C4H9NO/c1-14-9-16(10-19(31-3)15(14)2)28-12-20(23-13-28)24-22-25-21(27-8-6-17(30)11-27)18-5-4-7-29(18)26-22;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;11-10-12-9(14-5-3-7(16)6-14)8-2-1-4-15(8)13-10;7-5-4-2-1-3-11(4)10-6(8)9-5;6-4-1-2-5-3-4/h4-5,7,9-10,12-13,17,30H,6,8,11H2,1-3H3,(H,24,26);4-7H,13H2,1-3H3;1-2,4,7,16H,3,5-6H2;1-3H;4-6H,1-3H2/t17-;;7-;;4-/m1.1.1/s1
• InChIKey: KSCQWWJSOOKALY-UPTBEOKISA-N
• XLogP: 6.67
• TPSA: 280.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1182.58
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167608492) is (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CC[C@@H](O)C4)c4cccn4n3)c2)cc(C)c1C.Clc1nc(Cl)c2cccn2n1.O[C@@H]1CCN(c2nc(Cl)nn3cccc23)C1.O[C@@H]1CCNC1.

What is the InChIKey of (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is KSCQWWJSOOKALY-UPTBEOKISA-N. The full InChI is InChI=1S/C22H25N7O2.C12H15N3O3.C10H11ClN4O.C6H3Cl2N3.C4H9NO/c1-14-9-16(10-19(31-3)15(14)2)28-12-20(23-13-28)24-22-25-21(27-8-6-17(30)11-27)18-5-4-7-29(18)26-22;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;11-10-12-9(14-5-3-7(16)6-14)8-2-1-4-15(8)13-10;7-5-4-2-1-3-11(4)10-6(8)9-5;6-4-1-2-5-3-4/h4-5,7,9-10,12-13,17,30H,6,8,11H2,1-3H3,(H,24,26);4-7H,13H2,1-3H3;1-2,4,7,16H,3,5-6H2;1-3H;4-6H,1-3H2/t17-;;7-;;4-/m1.1.1/s1.

What are the key properties of (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

(3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1182.58 g/mol, XLogP of 6.67, 10 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(2-chloropyrrolo[2,1-f][1,2,4]triazin-4-yl)pyrrolidin-3-ol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;(3R)-1-[2-[[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167608492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).