3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine

C120H104N56O3S — CID 157091024

About 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine

3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine (PubChem CID 157091024) has the molecular formula C120H104N56O3S and a molecular weight of 2410.61 g/mol. Its IUPAC name is 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
• PubChem CID: 157091024
• Molecular Formula: C120H104N56O3S
• Molecular Weight: 2410.61 g/mol
• Exact Mass: 2408.94
• IUPAC Name: 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine
• SMILES: C[C@H](c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.Cn1cc(-c2cnc3nnn(Cc4c[nH]c5ccccc45)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4cc5ncccc5[nH]4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccc5ccc(CO)n5c4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4ccn5cccc5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(N5CCOCC5)nc43)cn2c1
• InChI: InChI=1S/2C18H16N8O.C18H16N8.C17H14N8.C17H17N7O.C16H13N9.C16H12N8S/c1-24-10-13(6-20-24)16-7-19-17-18(21-16)26(23-22-17)9-12-2-3-14-4-5-15(11-27)25(14)8-12;27-7-6-25-12-14(9-20-25)16-10-19-17-18(21-16)26(23-22-17)11-13-3-5-24-4-1-2-15(24)8-13;1-12(13-5-6-15-4-3-7-25(15)11-13)26-18-17(22-23-26)19-9-16(21-18)14-8-20-24(2)10-14;1-24-9-12(7-20-24)15-8-19-16-17(21-15)25(23-22-16)10-11-6-18-14-5-3-2-4-13(11)14;1-2-14-4-3-13(11-23(14)5-1)12-24-17-16(20-21-24)18-10-15(19-17)22-6-8-25-9-7-22;1-24-8-10(6-19-24)14-7-18-15-16(21-14)25(23-22-15)9-11-5-13-12(20-11)3-2-4-17-13;1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8,10,27H,9,11H2,1H3;1-5,8-10,12,27H,6-7,11H2;3-12H,1-2H3;2-9,18H,10H2,1H3;1-5,10-11H,6-9,12H2;2-8,20H,9H2,1H3;2-8H,9H2,1H3/t;;12-;;;;/m..1..../s1
• InChIKey: AEQXFDHNFYHMGZ-FKVTVCMXSA-N
• XLogP: 12.61
• TPSA: 630.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 58
• Rotatable Bonds: 24
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2410.61
LogP ≤ 5	12.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	58

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?

The IUPAC name of 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine (CID 157091024) is 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine.

What is the SMILES notation for 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?

The canonical SMILES for 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine is C[C@H](c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.Cn1cc(-c2cnc3nnn(Cc4c[nH]c5ccccc45)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4cc5cccnc5s4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4cc5ncccc5[nH]4)c3n2)cn1.Cn1cc(-c2cnc3nnn(Cc4ccc5ccc(CO)n5c4)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4ccn5cccc5c4)c3n2)cn1.c1cc2ccc(Cn3nnc4ncc(N5CCOCC5)nc43)cn2c1.

What is the InChIKey of 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?

The InChIKey is AEQXFDHNFYHMGZ-FKVTVCMXSA-N. The full InChI is InChI=1S/2C18H16N8O.C18H16N8.C17H14N8.C17H17N7O.C16H13N9.C16H12N8S/c1-24-10-13(6-20-24)16-7-19-17-18(21-16)26(23-22-17)9-12-2-3-14-4-5-15(11-27)25(14)8-12;27-7-6-25-12-14(9-20-25)16-10-19-17-18(21-16)26(23-22-17)11-13-3-5-24-4-1-2-15(24)8-13;1-12(13-5-6-15-4-3-7-25(15)11-13)26-18-17(22-23-26)19-9-16(21-18)14-8-20-24(2)10-14;1-24-9-12(7-20-24)15-8-19-16-17(21-15)25(23-22-16)10-11-6-18-14-5-3-2-4-13(11)14;1-2-14-4-3-13(11-23(14)5-1)12-24-17-16(20-21-24)18-10-15(19-17)22-6-8-25-9-7-22;1-24-8-10(6-19-24)14-7-18-15-16(21-14)25(23-22-15)9-11-5-13-12(20-11)3-2-4-17-13;1-23-8-11(6-19-23)13-7-18-14-15(20-13)24(22-21-14)9-12-5-10-3-2-4-17-16(10)25-12/h2-8,10,27H,9,11H2,1H3;1-5,8-10,12,27H,6-7,11H2;3-12H,1-2H3;2-9,18H,10H2,1H3;1-5,10-11H,6-9,12H2;2-8,20H,9H2,1H3;2-8H,9H2,1H3/t;;12-;;;;/m..1..../s1.

What are the key properties of 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine?

3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine has a molecular weight of 2410.61 g/mol, XLogP of 12.61, 24 rotatable bonds, 4 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-indolizin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]morpholine;2-[4-[3-(indolizin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1H-indol-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazine;[6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]indolizin-3-yl]methanol;2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine is sourced from PubChem (CID 157091024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).