5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine

C112H102F3N51O2 — CID 158883797

About 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine

5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine (PubChem CID 158883797) has the molecular formula C112H102F3N51O2 and a molecular weight of 2251.40 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
• PubChem CID: 158883797
• Molecular Formula: C112H102F3N51O2
• Molecular Weight: 2251.40 g/mol
• Exact Mass: 2249.94
• IUPAC Name: 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
• SMILES: CC(C)OCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.CC(C)n1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.CCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1.COCc1ccc2ccc([C@H](C)N3NNc4ncc(-c5cnn(C)c5)nc43)cn12.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.[C-]#[N+]Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1
• InChI: InChI=1S/C21H22N8O.C20H22N8O.C19H18N8.C18H13F3N8.C18H13N9.C16H14N10/c1-14(2)30-13-18-7-6-17-5-4-15(10-28(17)18)11-29-21-20(25-26-29)22-9-19(24-21)16-8-23-27(3)12-16;1-13(14-4-5-16-6-7-17(12-29-3)27(16)11-14)28-20-19(24-25-28)21-9-18(23-20)15-8-22-26(2)10-15;1-13(2)26-12-15(8-21-26)17-9-20-18-19(22-17)27(24-23-18)11-14-5-6-16-4-3-7-25(16)10-14;19-18(20,21)11-28-10-13(6-23-28)15-7-22-16-17(24-15)29(26-25-16)9-12-3-4-14-2-1-5-27(14)8-12;1-19-12-26-11-14(7-21-26)16-8-20-17-18(22-16)27(24-23-17)10-13-4-5-15-3-2-6-25(15)9-13;1-2-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-4-3-5-17-14(11)22-21-13/h4-10,12,14H,11,13H2,1-3H3;4-11,13,25H,12H2,1-3H3,(H,21,24);3-10,12-13H,11H2,1-2H3;1-8,10H,9,11H2;2-9,11H,10,12H2;3-8H,2,9H2,1H3,(H,17,21,22)/t;13-;;;;/m.0..../s1
• InChIKey: JDIYQOSDZPHXHC-MYAIWQSWSA-N
• XLogP: 15.14
• TPSA: 528.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 51
• Rotatable Bonds: 27
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2251.40
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

The IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine (CID 158883797) is 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine.

What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine is CC(C)OCc1ccc2ccc(Cn3nnc4ncc(-c5cnn(C)c5)nc43)cn12.CC(C)n1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.CCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1.COCc1ccc2ccc([C@H](C)N3NNc4ncc(-c5cnn(C)c5)nc43)cn12.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.[C-]#[N+]Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.

What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

The InChIKey is JDIYQOSDZPHXHC-MYAIWQSWSA-N. The full InChI is InChI=1S/C21H22N8O.C20H22N8O.C19H18N8.C18H13F3N8.C18H13N9.C16H14N10/c1-14(2)30-13-18-7-6-17-5-4-15(10-28(17)18)11-29-21-20(25-26-29)22-9-19(24-21)16-8-23-27(3)12-16;1-13(14-4-5-16-6-7-17(12-29-3)27(16)11-14)28-20-19(24-25-28)21-9-18(23-20)15-8-22-26(2)10-15;1-13(2)26-12-15(8-21-26)17-9-20-18-19(22-17)27(24-23-18)11-14-5-6-16-4-3-7-25(16)10-14;19-18(20,21)11-28-10-13(6-23-28)15-7-22-16-17(24-15)29(26-25-16)9-12-3-4-14-2-1-5-27(14)8-12;1-19-12-26-11-14(7-21-26)16-8-20-17-18(22-16)27(24-23-17)10-13-4-5-15-3-2-6-25(15)9-13;1-2-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-4-3-5-17-14(11)22-21-13/h4-10,12,14H,11,13H2,1-3H3;4-11,13,25H,12H2,1-3H3,(H,21,24);3-10,12-13H,11H2,1-2H3;1-8,10H,9,11H2;2-9,11H,10,12H2;3-8H,2,9H2,1H3,(H,17,21,22)/t;13-;;;;/m.0..../s1.

What are the key properties of 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine has a molecular weight of 2251.40 g/mol, XLogP of 15.14, 27 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1-ethylpyrazol-4-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(isocyanomethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-(1-propan-2-ylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(indolizin-6-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;3-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2-dihydrotriazolo[4,5-b]pyrazine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 158883797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).