2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C56H51N23O2 — CID 158788750

About 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 158788750) has the molecular formula C56H51N23O2 and a molecular weight of 1078.18 g/mol. Its IUPAC name is 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
• PubChem CID: 158788750
• Molecular Formula: C56H51N23O2
• Molecular Weight: 1078.18 g/mol
• Exact Mass: 1077.46
• IUPAC Name: 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
• SMILES: Cc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.Cc1ccc2ccc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cn12.OCCn1cc(-c2cnc3nnn(CC4=CCc5ccccc54)c3n2)cn1
• InChI: InChI=1S/C19H18N8O.C19H17N7O.C18H16N8/c1-13-2-4-16-5-3-14(10-26(13)16)11-27-19-18(23-24-27)20-9-17(22-19)15-8-21-25(12-15)6-7-28;27-8-7-25-11-15(9-21-25)17-10-20-18-19(22-17)26(24-23-18)12-14-6-5-13-3-1-2-4-16(13)14;1-12-3-5-15-6-4-13(9-25(12)15)10-26-18-17(22-23-26)19-8-16(21-18)14-7-20-24(2)11-14/h2-5,8-10,12,28H,6-7,11H2,1H3;1-4,6,9-11,27H,5,7-8,12H2;3-9,11H,10H2,1-2H3
• InChIKey: IRZVZLFDCKWWQX-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 272.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1078.18
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 158788750) is 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is Cc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.Cc1ccc2ccc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cn12.OCCn1cc(-c2cnc3nnn(CC4=CCc5ccccc54)c3n2)cn1.

What is the InChIKey of 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The InChIKey is IRZVZLFDCKWWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O.C19H17N7O.C18H16N8/c1-13-2-4-16-5-3-14(10-26(13)16)11-27-19-18(23-24-27)20-9-17(22-19)15-8-21-25(12-15)6-7-28;27-8-7-25-11-15(9-21-25)17-10-20-18-19(22-17)26(24-23-18)12-14-6-5-13-3-1-2-4-16(13)14;1-12-3-5-15-6-4-13(9-25(12)15)10-26-18-17(22-23-26)19-8-16(21-18)14-7-20-24(2)11-14/h2-5,8-10,12,28H,6-7,11H2,1H3;1-4,6,9-11,27H,5,7-8,12H2;3-9,11H,10H2,1-2H3.

What are the key properties of 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 1078.18 g/mol, XLogP of 5.63, 13 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(3H-inden-1-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-[(3-methylindolizin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(3-methylindolizin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158788750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).