carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)

C58H55Cl3N11O2Y3-3 — CID 162210497

About carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)

carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium) (PubChem CID 162210497) has the molecular formula C58H55Cl3N11O2Y3-3 and a molecular weight of 1311.23 g/mol. Its IUPAC name is carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium).

Molecular Properties

• Compound Name: carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)
• PubChem CID: 162210497
• Molecular Formula: C58H55Cl3N11O2Y3-3
• Molecular Weight: 1311.23 g/mol
• Exact Mass: 1309.08
• IUPAC Name: carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)
• SMILES: C#Cc1ccccc1.C(#Cc1nc2ncccc2nc1OCN1CCCC1)c1ccccc1.Clc1nc2cccnc2nc1C#Cc1ccccc1.Clc1nc2cccnc2nc1Cl.OCN1CCCC1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y]
• InChI: InChI=1S/C20H18N4O.C15H8ClN3.C8H6.C7H3Cl2N3.C5H11NO.3CH3.3Y/c1-2-7-16(8-3-1)10-11-18-20(25-15-24-13-4-5-14-24)23-17-9-6-12-21-19(17)22-18;16-14-12(9-8-11-5-2-1-3-6-11)19-15-13(18-14)7-4-10-17-15;1-2-8-6-4-3-5-7-8;8-5-6(9)12-7-4(11-5)2-1-3-10-7;7-5-6-3-1-2-4-6;;;;;;/h1-3,6-9,12H,4-5,13-15H2;1-7,10H;1,3-7H;1-3H;7H,1-5H2;3*1H3;;;/q;;;;;3*-1
• InChIKey: ZIBUREZDAOWVJH-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 151.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 4
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.23
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)?

The IUPAC name of carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium) (CID 162210497) is carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium).

What is the SMILES notation for carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)?

The canonical SMILES for carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium) is C#Cc1ccccc1.C(#Cc1nc2ncccc2nc1OCN1CCCC1)c1ccccc1.Clc1nc2cccnc2nc1C#Cc1ccccc1.Clc1nc2cccnc2nc1Cl.OCN1CCCC1.[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].

What is the InChIKey of carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)?

The InChIKey is ZIBUREZDAOWVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.C15H8ClN3.C8H6.C7H3Cl2N3.C5H11NO.3CH3.3Y/c1-2-7-16(8-3-1)10-11-18-20(25-15-24-13-4-5-14-24)23-17-9-6-12-21-19(17)22-18;16-14-12(9-8-11-5-2-1-3-6-11)19-15-13(18-14)7-4-10-17-15;1-2-8-6-4-3-5-7-8;8-5-6(9)12-7-4(11-5)2-1-3-10-7;7-5-6-3-1-2-4-6;;;;;;/h1-3,6-9,12H,4-5,13-15H2;1-7,10H;1,3-7H;1-3H;7H,1-5H2;3*1H3;;;/q;;;;;3*-1;;;.

What are the key properties of carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium)?

carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium) has a molecular weight of 1311.23 g/mol, XLogP of 11.31, 4 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2-chloro-3-(2-phenylethynyl)pyrido[2,3-b]pyrazine;2,3-dichloropyrido[2,3-b]pyrazine;ethynylbenzene;3-(2-phenylethynyl)-2-(pyrrolidin-1-ylmethoxy)pyrido[2,3-b]pyrazine;pyrrolidin-1-ylmethanol;tris(yttrium) is sourced from PubChem (CID 162210497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).