2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol

C52H52Cl3N23O — CID 167613527

IUPAC2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.Nc1cn(-c2cccnc2)cn1.OC[C@@H]1CCCN1
InChIInChI=1S/C19H20N8.C14H10ClN7.C8H8N4.C6H3Cl2N3.C5H11NO/c1-14-5-3-9-26(14)19-23-18(16-7-4-10-27(16)24-19)22-17-12-25(13-21-17)15-6-2-8-20-11-15;15-14-19-13(11-4-2-6-22(11)20-14)18-12-8-21(9-17-12)10-3-1-5-16-7-10;9-8-5-12(6-11-8)7-2-1-3-10-4-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4,6-8,10-14H,3,5,9H2,1H3,(H,22,23,24);1-9H,(H,18,19,20);1-6H,9H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m1...0/s1
InChIKeyLKBUOKZTLSJUIM-AQKKCWLGSA-N
MW1121.51 g/mol
LogP8.37
Rot. Bonds9

About 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol

2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol (PubChem CID 167613527) has the molecular formula C52H52Cl3N23O and a molecular weight of 1121.51 g/mol. Its IUPAC name is 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
PubChem CID167613527
Molecular FormulaC52H52Cl3N23O
Molecular Weight1121.51 g/mol
Exact Mass1119.38
IUPAC Name2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCCN1c1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.Nc1cn(-c2cccnc2)cn1.OC[C@@H]1CCCN1
InChIInChI=1S/C19H20N8.C14H10ClN7.C8H8N4.C6H3Cl2N3.C5H11NO/c1-14-5-3-9-26(14)19-23-18(16-7-4-10-27(16)24-19)22-17-12-25(13-21-17)15-6-2-8-20-11-15;15-14-19-13(11-4-2-6-22(11)20-14)18-12-8-21(9-17-12)10-3-1-5-16-7-10;9-8-5-12(6-11-8)7-2-1-3-10-4-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4,6-8,10-14H,3,5,9H2,1H3,(H,22,23,24);1-9H,(H,18,19,20);1-6H,9H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m1...0/s1
InChIKeyLKBUOKZTLSJUIM-AQKKCWLGSA-N
XLogP8.37
TPSA268.28 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001121.51
LogP ≤ 58.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The IUPAC name of 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol (CID 167613527) is 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol.
What is the SMILES notation for 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The canonical SMILES for 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol is C[C@@H]1CCCN1c1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.Clc1nc(Cl)c2cccn2n1.Clc1nc(Nc2cn(-c3cccnc3)cn2)c2cccn2n1.Nc1cn(-c2cccnc2)cn1.OC[C@@H]1CCCN1.
What is the InChIKey of 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
The InChIKey is LKBUOKZTLSJUIM-AQKKCWLGSA-N. The full InChI is InChI=1S/C19H20N8.C14H10ClN7.C8H8N4.C6H3Cl2N3.C5H11NO/c1-14-5-3-9-26(14)19-23-18(16-7-4-10-27(16)24-19)22-17-12-25(13-21-17)15-6-2-8-20-11-15;15-14-19-13(11-4-2-6-22(11)20-14)18-12-8-21(9-17-12)10-3-1-5-16-7-10;9-8-5-12(6-11-8)7-2-1-3-10-4-7;7-5-4-2-1-3-11(4)10-6(8)9-5;7-4-5-2-1-3-6-5/h2,4,6-8,10-14H,3,5,9H2,1H3,(H,22,23,24);1-9H,(H,18,19,20);1-6H,9H2;1-3H;5-7H,1-4H2/t14-;;;;5-/m1...0/s1.
What are the key properties of 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol?
2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol has a molecular weight of 1121.51 g/mol, XLogP of 8.37, 9 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2-[(2R)-2-methylpyrrolidin-1-yl]-N-(1-pyridin-3-ylimidazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;1-pyridin-3-ylimidazol-4-amine;[(2S)-pyrrolidin-2-yl]methanol is sourced from PubChem (CID 167613527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).