2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol

C58H58Cl6N20O5 — CID 167585450

About 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167585450) has the molecular formula C58H58Cl6N20O5 and a molecular weight of 1327.95 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167585450
• Molecular Formula: C58H58Cl6N20O5
• Molecular Weight: 1327.95 g/mol
• Exact Mass: 1324.30
• IUPAC Name: 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: COc1cc(Cl)cc(-n2cnc(N)c2)c1.COc1cc(Cl)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.COc1cc(Cl)cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)c1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1
• InChI: InChI=1S/C21H22ClN7O2.C16H12Cl2N6O.C10H10ClN3O.C6H3Cl2N3.C5H11NO/c1-31-17-9-14(22)8-16(10-17)27-11-19(23-13-27)24-20-18-5-3-7-29(18)26-21(25-20)28-6-2-4-15(28)12-30;1-25-12-6-10(17)5-11(7-12)23-8-14(19-9-23)20-15-13-3-2-4-24(13)22-16(18)21-15;1-15-9-3-7(11)2-8(4-9)14-5-10(12)13-6-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,5,7-11,13,15,30H,2,4,6,12H2,1H3,(H,24,25,26);2-9H,1H3,(H,20,21,22);2-6H,12H2,1H3;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1
• InChIKey: HSVQANOCECWELM-HIKDPHHVSA-N
• XLogP: 11.14
• TPSA: 277.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1327.95
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol?

The IUPAC name of 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol (CID 167585450) is 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol.

What is the SMILES notation for 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol?

The canonical SMILES for 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol is COc1cc(Cl)cc(-n2cnc(N)c2)c1.COc1cc(Cl)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.COc1cc(Cl)cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)c1.Clc1nc(Cl)c2cccn2n1.OC[C@@H]1CCCN1.

What is the InChIKey of 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol?

The InChIKey is HSVQANOCECWELM-HIKDPHHVSA-N. The full InChI is InChI=1S/C21H22ClN7O2.C16H12Cl2N6O.C10H10ClN3O.C6H3Cl2N3.C5H11NO/c1-31-17-9-14(22)8-16(10-17)27-11-19(23-13-27)24-20-18-5-3-7-29(18)26-21(25-20)28-6-2-4-15(28)12-30;1-25-12-6-10(17)5-11(7-12)23-8-14(19-9-23)20-15-13-3-2-4-24(13)22-16(18)21-15;1-15-9-3-7(11)2-8(4-9)14-5-10(12)13-6-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h3,5,7-11,13,15,30H,2,4,6,12H2,1H3,(H,24,25,26);2-9H,1H3,(H,20,21,22);2-6H,12H2,1H3;1-3H;5-7H,1-4H2/t15-;;;;5-/m0...0/s1.

What are the key properties of 2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol?

2-chloro-N-[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1327.95 g/mol, XLogP of 11.14, 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-chloro-5-methoxyphenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-(3-chloro-5-methoxyphenyl)imidazol-4-amine;[(2S)-1-[4-[[1-(3-chloro-5-methoxyphenyl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167585450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).