2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

C58H67Cl3F3N17O4 — CID 167666835

About 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine

2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (PubChem CID 167666835) has the molecular formula C58H67Cl3F3N17O4 and a molecular weight of 1229.64 g/mol. Its IUPAC name is 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

Molecular Properties

• Compound Name: 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• PubChem CID: 167666835
• Molecular Formula: C58H67Cl3F3N17O4
• Molecular Weight: 1229.64 g/mol
• Exact Mass: 1227.46
• IUPAC Name: 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine
• SMILES: COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C)c4cccn4n3)c2)cc(C)c1C.C[C@@H]1CCCN1c1nc(Cl)nn2cccc12.Clc1nc(Cl)c2cccn2n1.FC(F)(F)C1CCCC1
• InChI: InChI=1S/C23H27N7O.C12H15N3O3.C11H13ClN4.C6H3Cl2N3.C6H9F3/c1-15-11-18(12-20(31-4)17(15)3)28-13-21(24-14-28)25-23-26-22(29-9-5-7-16(29)2)19-8-6-10-30(19)27-23;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-8-4-2-6-15(8)10-9-5-3-7-16(9)14-11(12)13-10;7-5-4-2-1-3-11(4)10-6(8)9-5;7-6(8,9)5-3-1-2-4-5/h6,8,10-14,16H,5,7,9H2,1-4H3,(H,25,27);4-7H,13H2,1-3H3;3,5,7-8H,2,4,6H2,1H3;1-3H;5H,1-4H2/t16-;;8-;;/m1.1../s1
• InChIKey: STOGBRGPPOUDSX-YWIOYMNYSA-N
• XLogP: 12.90
• TPSA: 207.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.64
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The IUPAC name of 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine (CID 167666835) is 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine.

What is the SMILES notation for 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The canonical SMILES for 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is COc1cc(-n2cnc(N)c2)cc(OC)c1OC.COc1cc(-n2cnc(Nc3nc(N4CCC[C@H]4C)c4cccn4n3)c2)cc(C)c1C.C[C@@H]1CCCN1c1nc(Cl)nn2cccc12.Clc1nc(Cl)c2cccn2n1.FC(F)(F)C1CCCC1.

What is the InChIKey of 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

The InChIKey is STOGBRGPPOUDSX-YWIOYMNYSA-N. The full InChI is InChI=1S/C23H27N7O.C12H15N3O3.C11H13ClN4.C6H3Cl2N3.C6H9F3/c1-15-11-18(12-20(31-4)17(15)3)28-13-21(24-14-28)25-23-26-22(29-9-5-7-16(29)2)19-8-6-10-30(19)27-23;1-16-9-4-8(15-6-11(13)14-7-15)5-10(17-2)12(9)18-3;1-8-4-2-6-15(8)10-9-5-3-7-16(9)14-11(12)13-10;7-5-4-2-1-3-11(4)10-6(8)9-5;7-6(8,9)5-3-1-2-4-5/h6,8,10-14,16H,5,7,9H2,1-4H3,(H,25,27);4-7H,13H2,1-3H3;3,5,7-8H,2,4,6H2,1H3;1-3H;5H,1-4H2/t16-;;8-;;/m1.1../s1.

What are the key properties of 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine?

2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine has a molecular weight of 1229.64 g/mol, XLogP of 12.90, 10 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;N-[1-(3-methoxy-4,5-dimethylphenyl)imidazol-4-yl]-4-[(2R)-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;trifluoromethylcyclopentane;1-(3,4,5-trimethoxyphenyl)imidazol-4-amine is sourced from PubChem (CID 167666835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).