5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C115H111N49O4S — CID 158005964

About 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 158005964) has the molecular formula C115H111N49O4S and a molecular weight of 2275.56 g/mol. Its IUPAC name is 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
• PubChem CID: 158005964
• Molecular Formula: C115H111N49O4S
• Molecular Weight: 2275.56 g/mol
• Exact Mass: 2273.97
• IUPAC Name: 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
• SMILES: CCCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.CCOCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc2n1.COCc1ccn2ccc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc12.Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCCCC6)c5)nc43)cn2c1
• InChI: InChI=1S/C22H22N8.C20H20N8O2.C20H20N8O.C19H18N8.C17H17N9OS.C17H14N8/c1-2-5-19(6-3-1)29-15-17(11-24-29)20-12-23-21-22(25-20)30(27-26-21)14-16-8-9-18-7-4-10-28(18)13-16;1-30-13-15-3-5-26-4-2-14(8-18(15)26)11-28-20-19(24-25-28)21-10-17(23-20)16-9-22-27(12-16)6-7-29;1-3-29-13-17-7-6-16-5-4-14(10-27(16)17)11-28-20-19(24-25-28)21-9-18(23-20)15-8-22-26(2)12-15;1-2-7-26-13-15(9-21-26)17-10-20-18-19(22-17)27(24-23-18)12-14-5-6-16-4-3-8-25(16)11-14;1-2-24-10-15-13(22-24)5-12(28-15)9-26-17-16(21-23-26)18-7-14(20-17)11-6-19-25(8-11)3-4-27;1-23-11-13(7-19-23)15-8-18-16-17(20-15)25(22-21-16)10-12-4-5-14-3-2-6-24(14)9-12/h4,7-13,15,19H,1-3,5-6,14H2;2-5,8-10,12,29H,6-7,11,13H2,1H3;4-10,12H,3,11,13H2,1-2H3;3-6,8-11,13H,2,7,12H2,1H3;5-8,10,27H,2-4,9H2,1H3;2-9,11H,10H2,1H3
• InChIKey: FEHJESVPWYHREI-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 544.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 54
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2275.56
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The IUPAC name of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 158005964) is 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CCCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.CCOCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.CCn1cc2sc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc2n1.COCc1ccn2ccc(Cn3nnc4ncc(-c5cnn(CCO)c5)nc43)cc12.Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(-c5cnn(C6CCCCC6)c5)nc43)cn2c1.

What is the InChIKey of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The InChIKey is FEHJESVPWYHREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8.C20H20N8O2.C20H20N8O.C19H18N8.C17H17N9OS.C17H14N8/c1-2-5-19(6-3-1)29-15-17(11-24-29)20-12-23-21-22(25-20)30(27-26-21)14-16-8-9-18-7-4-10-28(18)13-16;1-30-13-15-3-5-26-4-2-14(8-18(15)26)11-28-20-19(24-25-28)21-10-17(23-20)16-9-22-27(12-16)6-7-29;1-3-29-13-17-7-6-16-5-4-14(10-27(16)17)11-28-20-19(24-25-28)21-9-18(23-20)15-8-22-26(2)12-15;1-2-7-26-13-15(9-21-26)17-10-20-18-19(22-17)27(24-23-18)12-14-5-6-16-4-3-8-25(16)11-14;1-2-24-10-15-13(22-24)5-12(28-15)9-26-17-16(21-23-26)18-7-14(20-17)11-6-19-25(8-11)3-4-27;1-23-11-13(7-19-23)15-8-18-16-17(20-15)25(22-21-16)10-12-4-5-14-3-2-6-24(14)9-12/h4,7-13,15,19H,1-3,5-6,14H2;2-5,8-10,12,29H,6-7,11,13H2,1H3;4-10,12H,3,11,13H2,1-2H3;3-6,8-11,13H,2,7,12H2,1H3;5-8,10,27H,2-4,9H2,1H3;2-9,11H,10H2,1H3.

What are the key properties of 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 2275.56 g/mol, XLogP of 14.15, 31 rotatable bonds, 2 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-cyclohexylpyrazol-4-yl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;3-[[3-(ethoxymethyl)indolizin-6-yl]methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[(2-ethylthieno[3,2-c]pyrazol-5-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(indolizin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propylpyrazol-4-yl)triazolo[4,5-b]pyrazine;2-[4-[3-[[1-(methoxymethyl)indolizin-7-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158005964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).