1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)

C131H136BrF3N12O8P4PdSi2 — CID 159743478

IUPAC1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)
SMILESC=C(C)OCC.CC(=O)c1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.O=C(O)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H45BrN6O3Si2.C21H20N6O2.4C18H15P.C5H10O.C2HF3O2.Pd/c1-42(2,3)17-15-40-22-37(23-41-16-18-43(4,5)6)31-28(32)30(36-11-13-39-14-12-36)35-29-26(21-34-38(29)31)25-19-24-9-7-8-10-27(24)33-20-25;1-13(28)18-19(22)27-20(25-21(18)26-6-8-29-9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6-5(2)3;3-2(4,5)1(6)7;/h7-10,19-21H,11-18,22-23H2,1-6H3;2-5,10-12H,6-9,22H2,1H3;4*1-15H;2,4H2,1,3H3;(H,6,7);
InChIKeyWAZXGWOHRZKKJZ-UHFFFAOYSA-N
MW2429.99 g/mol
LogP25.51
Rot. Bonds30

About 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)

1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane) (PubChem CID 159743478) has the molecular formula C131H136BrF3N12O8P4PdSi2 and a molecular weight of 2429.99 g/mol. Its IUPAC name is 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)
PubChem CID159743478
Molecular FormulaC131H136BrF3N12O8P4PdSi2
Molecular Weight2429.99 g/mol
Exact Mass2426.73
IUPAC Name1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)
SMILESC=C(C)OCC.CC(=O)c1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.O=C(O)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C31H45BrN6O3Si2.C21H20N6O2.4C18H15P.C5H10O.C2HF3O2.Pd/c1-42(2,3)17-15-40-22-37(23-41-16-18-43(4,5)6)31-28(32)30(36-11-13-39-14-12-36)35-29-26(21-34-38(29)31)25-19-24-9-7-8-10-27(24)33-20-25;1-13(28)18-19(22)27-20(25-21(18)26-6-8-29-9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6-5(2)3;3-2(4,5)1(6)7;/h7-10,19-21H,11-18,22-23H2,1-6H3;2-5,10-12H,6-9,22H2,1H3;4*1-15H;2,4H2,1,3H3;(H,6,7);
InChIKeyWAZXGWOHRZKKJZ-UHFFFAOYSA-N
XLogP25.51
TPSA222.42 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002429.99
LogP ≤ 525.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

2-[3-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;ethyl 2-[3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate;2,2,2-trifluoroacetaldehyde
CID 158696012
2-[4-(7-Amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetate
CID 158300006
ethanol;5-(morpholin-4-ylmethyl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(morpholin-4-ylmethyl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158685919
tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;deuteriopalladium(1+);(Z)-1-ethoxyprop-1-ene;fluoromethane;tetrakis(triphenylphosphane)
CID 159271634
CID 159578880
CID 159578880
6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159937480
3-[(5-Morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 159970769
Tert-butyl 3-bromopropanoate;tert-butyl 3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoate;5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[(5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 160560167

Frequently Asked Questions

What is the IUPAC name of 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)?
The IUPAC name of 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane) (CID 159743478) is 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane).
What is the SMILES notation for 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)?
The canonical SMILES for 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane) is C=C(C)OCC.CC(=O)c1c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn2c1N.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.O=C(O)C(F)(F)F.[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 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)?
The InChIKey is WAZXGWOHRZKKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45BrN6O3Si2.C21H20N6O2.4C18H15P.C5H10O.C2HF3O2.Pd/c1-42(2,3)17-15-40-22-37(23-41-16-18-43(4,5)6)31-28(32)30(36-11-13-39-14-12-36)35-29-26(21-34-38(29)31)25-19-24-9-7-8-10-27(24)33-20-25;1-13(28)18-19(22)27-20(25-21(18)26-6-8-29-9-7-26)16(12-24-27)15-10-14-4-2-3-5-17(14)23-11-15;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-6-5(2)3;3-2(4,5)1(6)7;/h7-10,19-21H,11-18,22-23H2,1-6H3;2-5,10-12H,6-9,22H2,1H3;4*1-15H;2,4H2,1,3H3;(H,6,7);.
What are the key properties of 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane)?
1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane) has a molecular weight of 2429.99 g/mol, XLogP of 25.51, 30 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-amino-5-morpholin-4-yl-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone;6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethoxyprop-1-ene;palladium;2,2,2-trifluoroacetic acid;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159743478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).