azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

C108H99N51O3 — CID 158600766

About azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol

azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (PubChem CID 158600766) has the molecular formula C108H99N51O3 and a molecular weight of 2159.33 g/mol. Its IUPAC name is azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
• PubChem CID: 158600766
• Molecular Formula: C108H99N51O3
• Molecular Weight: 2159.33 g/mol
• Exact Mass: 2157.92
• IUPAC Name: azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
• SMILES: CCC(c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.COCc1ccc2ccc([C@@H](C)Nc3nc(-c4cnn(C)c4)cnc3N)cn12.Cn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.N.OCCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.[C-]#[N+]c1ccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1
• InChI: InChI=1S/C20H23N7O.C19H12N8.C19H18N8.C18H16N8O.C16H14N10O.C16H13N9.H3N/c1-13(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;1-20-17-7-5-14(9-21-17)16-10-22-18-19(23-16)27(25-24-18)12-13-4-6-15-3-2-8-26(15)11-13;1-3-17(13-6-7-15-5-4-8-26(15)12-13)27-19-18(23-24-27)20-10-16(22-19)14-9-21-25(2)11-14;27-7-6-25-12-14(8-20-25)16-9-19-17-18(21-16)26(23-22-17)11-13-3-4-15-2-1-5-24(15)10-13;27-5-4-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-2-1-3-17-14(11)22-21-13;1-23-10-12(6-19-23)14-7-17-15-16(20-14)25(22-21-15)9-11-2-3-13-4-5-18-24(13)8-11;/h4-11,13H,12H2,1-3H3,(H2,21,22)(H,24,25);2-11H,12H2;4-12,17H,3H2,1-2H3;1-5,8-10,12,27H,6-7,11H2;1-3,6-8,27H,4-5,9H2,(H,17,21,22);2-8,10H,9H2,1H3;1H3/t13-;;;;;;/m1....../s1
• InChIKey: FTDMMZZAYLESPX-UQONAEDOSA-N
• XLogP: 12.30
• TPSA: 613.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.33
LogP ≤ 5	12.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The IUPAC name of azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol (CID 158600766) is azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol.

What is the SMILES notation for azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The canonical SMILES for azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is CCC(c1ccc2cccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.COCc1ccc2ccc([C@@H](C)Nc3nc(-c4cnn(C)c4)cnc3N)cn12.Cn1cc(-c2cnc3nnn(Cc4ccc5ccnn5c4)c3n2)cn1.N.OCCn1cc(-c2cnc3nnn(Cc4[nH]nc5ncccc45)c3n2)cn1.OCCn1cc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.[C-]#[N+]c1ccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)cn1.

What is the InChIKey of azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

The InChIKey is FTDMMZZAYLESPX-UQONAEDOSA-N. The full InChI is InChI=1S/C20H23N7O.C19H12N8.C19H18N8.C18H16N8O.C16H14N10O.C16H13N9.H3N/c1-13(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;1-20-17-7-5-14(9-21-17)16-10-22-18-19(23-16)27(25-24-18)12-13-4-6-15-3-2-8-26(15)11-13;1-3-17(13-6-7-15-5-4-8-26(15)12-13)27-19-18(23-24-27)20-10-16(22-19)14-9-21-25(2)11-14;27-7-6-25-12-14(8-20-25)16-9-19-17-18(21-16)26(23-22-17)11-13-3-4-15-2-1-5-24(15)10-13;27-5-4-25-8-10(6-19-25)12-7-18-15-16(20-12)26(24-23-15)9-13-11-2-1-3-17-14(11)22-21-13;1-23-10-12(6-19-23)14-7-17-15-16(20-14)25(22-21-15)9-11-2-3-13-4-5-18-24(13)8-11;/h4-11,13H,12H2,1-3H3,(H2,21,22)(H,24,25);2-11H,12H2;4-12,17H,3H2,1-2H3;1-5,8-10,12,27H,6-7,11H2;1-3,6-8,27H,4-5,9H2,(H,17,21,22);2-8,10H,9H2,1H3;1H3/t13-;;;;;;/m1....../s1.

What are the key properties of azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol?

azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 2159.33 g/mol, XLogP of 12.30, 26 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for azane;3-(indolizin-6-ylmethyl)-5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazine;2-[4-[3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(1-indolizin-6-ylpropyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-N-[(1R)-1-[3-(methoxymethyl)indolizin-6-yl]ethyl]-5-(1-methylpyrazol-4-yl)pyrazine-2,3-diamine;5-(1-methylpyrazol-4-yl)-3-(pyrazolo[1,5-a]pyridin-6-ylmethyl)triazolo[4,5-b]pyrazine;2-[4-[3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158600766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).