azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine

C112H106F3N51O2 — CID 158080952

About azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine

azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine (PubChem CID 158080952) has the molecular formula C112H106F3N51O2 and a molecular weight of 2255.43 g/mol. Its IUPAC name is azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine.

Molecular Properties

• Compound Name: azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine
• PubChem CID: 158080952
• Molecular Formula: C112H106F3N51O2
• Molecular Weight: 2255.43 g/mol
• Exact Mass: 2253.97
• IUPAC Name: azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;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)Nc3nc(-c4cnn(C)c4)cnc3N)cn12.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.N.[C-]#[N+]Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1
• InChI: InChI=1S/C21H22N8O.C20H23N7O.C19H18N8.C18H13F3N8.C18H13N9.C16H14N10.H3N/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(12-28-3)27(16)11-14)24-20-19(21)22-9-18(25-20)15-8-23-26(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;4-11,13H,12H2,1-3H3,(H2,21,22)(H,24,25);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);1H3/t;13-;;;;;/m.0...../s1
• InChIKey: AFNQLGYMOOXUAV-MVYJWRLXSA-N
• XLogP: 15.64
• TPSA: 574.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 51
• Rotatable Bonds: 28
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.43
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	4
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 azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

The IUPAC name of azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine (CID 158080952) is azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;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 azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

The canonical SMILES for azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;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)Nc3nc(-c4cnn(C)c4)cnc3N)cn12.FC(F)(F)Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.N.[C-]#[N+]Cn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.

What is the InChIKey of azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

The InChIKey is AFNQLGYMOOXUAV-MVYJWRLXSA-N. The full InChI is InChI=1S/C21H22N8O.C20H23N7O.C19H18N8.C18H13F3N8.C18H13N9.C16H14N10.H3N/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(12-28-3)27(16)11-14)24-20-19(21)22-9-18(25-20)15-8-23-26(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;4-11,13H,12H2,1-3H3,(H2,21,22)(H,24,25);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);1H3/t;13-;;;;;/m.0...../s1.

What are the key properties of azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine?

azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine has a molecular weight of 2255.43 g/mol, XLogP of 15.64, 28 rotatable bonds, 4 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for azane;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-N-[(1S)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-[[3-(propan-2-yloxymethyl)indolizin-6-yl]methyl]triazolo[4,5-b]pyrazine is sourced from PubChem (CID 158080952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).