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

C62H67Cl3F5N21O3 — CID 167617978

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

2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167617978) has the molecular formula C62H67Cl3F5N21O3 and a molecular weight of 1355.71 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167617978
• Molecular Formula: C62H67Cl3F5N21O3
• Molecular Weight: 1355.71 g/mol
• Exact Mass: 1353.47
• IUPAC Name: 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: C.C.Clc1nc(Cl)c2cccn2n1.Fc1cc(F)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.Nc1cn(-c2cc(F)cc(F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1cc(F)cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)c1
• InChI: InChI=1S/C25H29FN8O2.C15H9ClF2N6.C9H7F2N3.C6H3Cl2N3.C5H11NO.2CH4/c26-17-10-20(12-21(11-17)32-7-1-4-18(32)14-35)31-13-23(27-16-31)28-24-22-6-3-9-34(22)30-25(29-24)33-8-2-5-19(33)15-36;16-15-21-14(12-2-1-3-24(12)22-15)20-13-7-23(8-19-13)11-5-9(17)4-10(18)6-11;10-6-1-7(11)3-8(2-6)14-4-9(12)13-5-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;;/h3,6,9-13,16,18-19,35-36H,1-2,4-5,7-8,14-15H2,(H,28,29,30);1-8H,(H,20,21,22);1-5H,12H2;1-3H;5-7H,1-4H2;2*1H4/t18-,19-;;;;5-;;/m0...0../s1
• InChIKey: MAIHJVBXUOKNQS-QMVPZUHLSA-N
• XLogP: 11.08
• TPSA: 273.31 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.71
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol (CID 167617978) is 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol.

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

The canonical SMILES for 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol is C.C.Clc1nc(Cl)c2cccn2n1.Fc1cc(F)cc(-n2cnc(Nc3nc(Cl)nn4cccc34)c2)c1.Nc1cn(-c2cc(F)cc(F)c2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1cc(F)cc(-n2cnc(Nc3nc(N4CCC[C@H]4CO)nn4cccc34)c2)c1.

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

The InChIKey is MAIHJVBXUOKNQS-QMVPZUHLSA-N. The full InChI is InChI=1S/C25H29FN8O2.C15H9ClF2N6.C9H7F2N3.C6H3Cl2N3.C5H11NO.2CH4/c26-17-10-20(12-21(11-17)32-7-1-4-18(32)14-35)31-13-23(27-16-31)28-24-22-6-3-9-34(22)30-25(29-24)33-8-2-5-19(33)15-36;16-15-21-14(12-2-1-3-24(12)22-15)20-13-7-23(8-19-13)11-5-9(17)4-10(18)6-11;10-6-1-7(11)3-8(2-6)14-4-9(12)13-5-14;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5;;/h3,6,9-13,16,18-19,35-36H,1-2,4-5,7-8,14-15H2,(H,28,29,30);1-8H,(H,20,21,22);1-5H,12H2;1-3H;5-7H,1-4H2;2*1H4/t18-,19-;;;;5-;;/m0...0../s1.

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

2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1355.71 g/mol, XLogP of 11.08, 12 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(3,5-difluorophenyl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(3,5-difluorophenyl)imidazol-4-amine;[(2S)-1-[3-fluoro-5-[4-[[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]imidazol-1-yl]phenyl]pyrrolidin-2-yl]methanol;methane;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167617978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).