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

C46H49Cl3N26O2 — CID 167620521

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

2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167620521) has the molecular formula C46H49Cl3N26O2 and a molecular weight of 1104.44 g/mol. Its IUPAC name is 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• PubChem CID: 167620521
• Molecular Formula: C46H49Cl3N26O2
• Molecular Weight: 1104.44 g/mol
• Exact Mass: 1102.36
• IUPAC Name: 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol
• SMILES: Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1.Nc1cn(-c2ccn[nH]2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1
• InChI: InChI=1S/C17H19N9O.C12H9ClN8.C6H3Cl2N3.C6H7N5.C5H11NO/c27-10-12-3-1-7-25(12)17-21-16(13-4-2-8-26(13)23-17)20-14-9-24(11-18-14)15-5-6-19-22-15;13-12-17-11(8-2-1-5-21(8)19-12)16-9-6-20(7-14-9)10-3-4-15-18-10;7-5-4-2-1-3-11(4)10-6(8)9-5;7-5-3-11(4-8-5)6-1-2-9-10-6;7-4-5-2-1-3-6-5/h2,4-6,8-9,11-12,27H,1,3,7,10H2,(H,19,22)(H,20,21,23);1-7H,(H,15,18)(H,16,17,19);1-3H;1-4H,7H2,(H,9,10);5-7H,1-4H2/t12-;;;;5-/m0...0/s1
• InChIKey: MJJNLDGCXVDFQZ-ATFOJINRSA-N
• XLogP: 5.32
• TPSA: 335.88 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1104.44
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol (CID 167620521) is 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol.

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

The canonical SMILES for 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1.Nc1cn(-c2ccn[nH]2)cn1.OC[C@@H]1CCCN1.OC[C@@H]1CCCN1c1nc(Nc2cn(-c3ccn[nH]3)cn2)c2cccn2n1.

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

The InChIKey is MJJNLDGCXVDFQZ-ATFOJINRSA-N. The full InChI is InChI=1S/C17H19N9O.C12H9ClN8.C6H3Cl2N3.C6H7N5.C5H11NO/c27-10-12-3-1-7-25(12)17-21-16(13-4-2-8-26(13)23-17)20-14-9-24(11-18-14)15-5-6-19-22-15;13-12-17-11(8-2-1-5-21(8)19-12)16-9-6-20(7-14-9)10-3-4-15-18-10;7-5-4-2-1-3-11(4)10-6(8)9-5;7-5-3-11(4-8-5)6-1-2-9-10-6;7-4-5-2-1-3-6-5/h2,4-6,8-9,11-12,27H,1,3,7,10H2,(H,19,22)(H,20,21,23);1-7H,(H,15,18)(H,16,17,19);1-3H;1-4H,7H2,(H,9,10);5-7H,1-4H2/t12-;;;;5-/m0...0/s1.

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

2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1104.44 g/mol, XLogP of 5.32, 10 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[1-(1H-pyrazol-5-yl)imidazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;1-(1H-pyrazol-5-yl)imidazol-4-amine;[(2S)-1-[4-[[1-(1H-pyrazol-5-yl)imidazol-4-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanol;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167620521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).