3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)

C124H106BBrN12O8P4Pd — CID 159870638

IUPAC3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C#N)c(OC)n4)C4CC4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1nc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CC2)ccc1C#N.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22N6O3.C18H14BrN5O2.4C18H15P.C8H10BNO3.Pd/c1-28-24(33)17-5-3-16(4-6-17)21-15-29-31-12-11-18(13-22(21)31)26(34)32(20-8-9-20)23-10-7-19(14-27)25(30-23)35-2;1-26-17-12(9-20)2-5-16(22-17)24(13-3-4-13)18(25)11-6-7-23-15(8-11)14(19)10-21-23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8(11)6-2-4-7(5-3-6)9(12)13;/h3-7,10-13,15,20H,8-9H2,1-2H3,(H,28,33);2,5-8,10,13H,3-4H2,1H3;4*1-15H;2-5,12-13H,1H3,(H,10,11);
InChIKeyNSHJXOJABLHMSG-UHFFFAOYSA-N
MW2213.32 g/mol
LogP19.13
Rot. Bonds24

About 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)

3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane) (PubChem CID 159870638) has the molecular formula C124H106BBrN12O8P4Pd and a molecular weight of 2213.32 g/mol. Its IUPAC name is 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)
PubChem CID159870638
Molecular FormulaC124H106BBrN12O8P4Pd
Molecular Weight2213.32 g/mol
Exact Mass2210.55
IUPAC Name3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)
SMILESCNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C#N)c(OC)n4)C4CC4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1nc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CC2)ccc1C#N.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H22N6O3.C18H14BrN5O2.4C18H15P.C8H10BNO3.Pd/c1-28-24(33)17-5-3-16(4-6-17)21-15-29-31-12-11-18(13-22(21)31)26(34)32(20-8-9-20)23-10-7-19(14-27)25(30-23)35-2;1-26-17-12(9-20)2-5-16(22-17)24(13-3-4-13)18(25)11-6-7-23-15(8-11)14(19)10-21-23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8(11)6-2-4-7(5-3-6)9(12)13;/h3-7,10-13,15,20H,8-9H2,1-2H3,(H,28,33);2,5-8,10,13H,3-4H2,1H3;4*1-15H;2-5,12-13H,1H3,(H,10,11);
InChIKeyNSHJXOJABLHMSG-UHFFFAOYSA-N
XLogP19.13
TPSA265.70 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.32
LogP ≤ 519.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane) (CID 159870638) is 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane) is CNC(=O)c1ccc(-c2cnn3ccc(C(=O)N(c4ccc(C#N)c(OC)n4)C4CC4)cc23)cc1.CNC(=O)c1ccc(B(O)O)cc1.COc1nc(N(C(=O)c2ccn3ncc(Br)c3c2)C2CC2)ccc1C#N.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)?
The InChIKey is NSHJXOJABLHMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O3.C18H14BrN5O2.4C18H15P.C8H10BNO3.Pd/c1-28-24(33)17-5-3-16(4-6-17)21-15-29-31-12-11-18(13-22(21)31)26(34)32(20-8-9-20)23-10-7-19(14-27)25(30-23)35-2;1-26-17-12(9-20)2-5-16(22-17)24(13-3-4-13)18(25)11-6-7-23-15(8-11)14(19)10-21-23;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10-8(11)6-2-4-7(5-3-6)9(12)13;/h3-7,10-13,15,20H,8-9H2,1-2H3,(H,28,33);2,5-8,10,13H,3-4H2,1H3;4*1-15H;2-5,12-13H,1H3,(H,10,11);.
What are the key properties of 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane)?
3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2213.32 g/mol, XLogP of 19.13, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide;N-(5-cyano-6-methoxy-2-pyridinyl)-N-cyclopropyl-3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxamide;[4-(methylcarbamoyl)phenyl]boronic acid;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159870638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).