2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C83H80BClF3N25O9S — CID 165005932

IUPAC2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(NC(=O)C23CC4CC(C2)N(c2cnc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn2)C(C4)C3)cn1.COc1ccc(NC(=O)C23CC4CC(C2)N(c2cnc(Cl)cn2)C(C4)C3)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C32H30N10O2.C20H22ClN5O2.C18H20BN5O2.C13H8F3N5O3S/c1-40-17-22(13-37-40)20-7-26(30-21(11-33)12-38-41(30)18-20)27-15-35-28(16-34-27)42-24-5-19-6-25(42)10-32(8-19,9-24)31(43)39-23-3-4-29(44-2)36-14-23;1-28-18-3-2-13(9-24-18)25-19(27)20-6-12-4-14(7-20)26(15(5-12)8-20)17-11-22-16(21)10-23-17;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8/h3-4,7,12-19,24-25H,5-6,8-10H2,1-2H3,(H,39,43);2-3,9-12,14-15H,4-8H2,1H3,(H,25,27);6,8-11H,1-5H3;2,4-7H,1H3
InChIKeyIYQDSGOUBOHKHR-UHFFFAOYSA-N
MW1707.04 g/mol
LogP11.29
Rot. Bonds15

About 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 165005932) has the molecular formula C83H80BClF3N25O9S and a molecular weight of 1707.04 g/mol. Its IUPAC name is 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID165005932
Molecular FormulaC83H80BClF3N25O9S
Molecular Weight1707.04 g/mol
Exact Mass1705.60
IUPAC Name2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(NC(=O)C23CC4CC(C2)N(c2cnc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn2)C(C4)C3)cn1.COc1ccc(NC(=O)C23CC4CC(C2)N(c2cnc(Cl)cn2)C(C4)C3)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C32H30N10O2.C20H22ClN5O2.C18H20BN5O2.C13H8F3N5O3S/c1-40-17-22(13-37-40)20-7-26(30-21(11-33)12-38-41(30)18-20)27-15-35-28(16-34-27)42-24-5-19-6-25(42)10-32(8-19,9-24)31(43)39-23-3-4-29(44-2)36-14-23;1-28-18-3-2-13(9-24-18)25-19(27)20-6-12-4-14(7-20)26(15(5-12)8-20)17-11-22-16(21)10-23-17;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8/h3-4,7,12-19,24-25H,5-6,8-10H2,1-2H3,(H,39,43);2-3,9-12,14-15H,4-8H2,1H3,(H,25,27);6,8-11H,1-5H3;2,4-7H,1H3
InChIKeyIYQDSGOUBOHKHR-UHFFFAOYSA-N
XLogP11.29
TPSA399.04 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.04
LogP ≤ 511.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 165005932) is 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(NC(=O)C23CC4CC(C2)N(c2cnc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn2)C(C4)C3)cn1.COc1ccc(NC(=O)C23CC4CC(C2)N(c2cnc(Cl)cn2)C(C4)C3)cn1.Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is IYQDSGOUBOHKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N10O2.C20H22ClN5O2.C18H20BN5O2.C13H8F3N5O3S/c1-40-17-22(13-37-40)20-7-26(30-21(11-33)12-38-41(30)18-20)27-15-35-28(16-34-27)42-24-5-19-6-25(42)10-32(8-19,9-24)31(43)39-23-3-4-29(44-2)36-14-23;1-28-18-3-2-13(9-24-18)25-19(27)20-6-12-4-14(7-20)26(15(5-12)8-20)17-11-22-16(21)10-23-17;1-17(2)18(3,4)26-19(25-17)15-6-12(14-9-21-23(5)10-14)11-24-16(15)13(7-20)8-22-24;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8/h3-4,7,12-19,24-25H,5-6,8-10H2,1-2H3,(H,39,43);2-3,9-12,14-15H,4-8H2,1H3,(H,25,27);6,8-11H,1-5H3;2,4-7H,1H3.
What are the key properties of 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 1707.04 g/mol, XLogP of 11.29, 15 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropyrazin-2-yl)-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-N-(6-methoxy-3-pyridinyl)-2-azatricyclo[3.3.1.13,7]decane-5-carboxamide;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;6-(1-methylpyrazol-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 165005932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).