6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C83H69N23O9 — CID 165105109

About 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165105109) has the molecular formula C83H69N23O9 and a molecular weight of 1532.62 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 165105109
• Molecular Formula: C83H69N23O9
• Molecular Weight: 1532.62 g/mol
• Exact Mass: 1531.56
• IUPAC Name: 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccnc(OC)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cncc([N+](=O)[O-])c4)CC3)nc2)c2c(C#N)cnn2c1.[C-]#[N+]c1cccc(C#CC(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)n1
• InChI: InChI=1S/C28H22N8O2.C28H25N7O3.C27H22N8O4/c1-3-38-23-15-24(28-21(16-29)18-32-36(28)19-23)20-7-9-26(31-17-20)34-11-13-35(14-12-34)27(37)10-8-22-5-4-6-25(30-2)33-22;1-3-38-23-15-24(28-22(16-29)18-32-35(28)19-23)21-5-6-25(31-17-21)33-10-12-34(13-11-33)27(36)7-4-20-8-9-30-26(14-20)37-2;1-2-39-23-12-24(27-21(13-28)16-31-34(27)18-23)20-4-5-25(30-15-20)32-7-9-33(10-8-32)26(36)6-3-19-11-22(35(37)38)17-29-14-19/h4-7,9,15,17-19H,3,11-14H2,1H3;5-6,8-9,14-15,17-19H,3,10-13H2,1-2H3;4-5,11-12,14-18H,2,7-10H2,1H3
• InChIKey: YZLGSVMYTMTURW-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 355.68 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.62
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165105109) is 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4ccnc(OC)c4)CC3)nc2)c2c(C#N)cnn2c1.CCOc1cc(-c2ccc(N3CCN(C(=O)C#Cc4cncc([N+](=O)[O-])c4)CC3)nc2)c2c(C#N)cnn2c1.[C-]#[N+]c1cccc(C#CC(=O)N2CCN(c3ccc(-c4cc(OCC)cn5ncc(C#N)c45)cn3)CC2)n1.

What is the InChIKey of 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is YZLGSVMYTMTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N8O2.C28H25N7O3.C27H22N8O4/c1-3-38-23-15-24(28-21(16-29)18-32-36(28)19-23)20-7-9-26(31-17-20)34-11-13-35(14-12-34)27(37)10-8-22-5-4-6-25(30-2)33-22;1-3-38-23-15-24(28-22(16-29)18-32-35(28)19-23)21-5-6-25(31-17-21)33-10-12-34(13-11-33)27(36)7-4-20-8-9-30-26(14-20)37-2;1-2-39-23-12-24(27-21(13-28)16-31-34(27)18-23)20-4-5-25(30-15-20)32-7-9-33(10-8-32)26(36)6-3-19-11-22(35(37)38)17-29-14-19/h4-7,9,15,17-19H,3,11-14H2,1H3;5-6,8-9,14-15,17-19H,3,10-13H2,1-2H3;4-5,11-12,14-18H,2,7-10H2,1H3.

What are the key properties of 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1532.62 g/mol, XLogP of 8.75, 14 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-4-[6-[4-[3-(6-isocyano-2-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(2-methoxy-4-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-[4-[3-(5-nitro-3-pyridinyl)prop-2-ynoyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165105109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).