6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate

C89H122ClN15O10Si4 — CID 158052358

IUPAC6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate
SMILESC=CCCCC(=O)OC.COC(=O)CCCCCc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C34H51N5O4Si2.C27H38ClN5O2Si2.C21H21N5O2.C7H12O2/c1-41-33(40)16-10-8-9-14-29-22-32(38(25-42-17-19-44(2,3)4)26-43-18-20-45(5,6)7)39-34(37-29)30(24-36-39)28-21-27-13-11-12-15-31(27)35-23-28;1-36(2,3)13-11-34-19-32(20-35-12-14-37(4,5)6)26-16-25(28)31-27-23(18-30-33(26)27)22-15-21-9-7-8-10-24(21)29-17-22;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;1-3-4-5-6-7(8)9-2/h11-13,15,21-24H,8-10,14,16-20,25-26H2,1-7H3;7-10,15-18H,11-14,19-20H2,1-6H3;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);3H,1,4-6H2,2H3
InChIKeyFJQCJLFHSZAZFU-UHFFFAOYSA-N
MW1709.85 g/mol
LogP19.91
Rot. Bonds41

About 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate

6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate (PubChem CID 158052358) has the molecular formula C89H122ClN15O10Si4 and a molecular weight of 1709.85 g/mol. Its IUPAC name is 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate.

Molecular Properties

Compound Name6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate
PubChem CID158052358
Molecular FormulaC89H122ClN15O10Si4
Molecular Weight1709.85 g/mol
Exact Mass1707.83
IUPAC Name6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate
SMILESC=CCCCC(=O)OC.COC(=O)CCCCCc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C34H51N5O4Si2.C27H38ClN5O2Si2.C21H21N5O2.C7H12O2/c1-41-33(40)16-10-8-9-14-29-22-32(38(25-42-17-19-44(2,3)4)26-43-18-20-45(5,6)7)39-34(37-29)30(24-36-39)28-21-27-13-11-12-15-31(27)35-23-28;1-36(2,3)13-11-34-19-32(20-35-12-14-37(4,5)6)26-16-25(28)31-27-23(18-30-33(26)27)22-15-21-9-7-8-10-24(21)29-17-22;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;1-3-4-5-6-7(8)9-2/h11-13,15,21-24H,8-10,14,16-20,25-26H2,1-7H3;7-10,15-18H,11-14,19-20H2,1-6H3;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);3H,1,4-6H2,2H3
InChIKeyFJQCJLFHSZAZFU-UHFFFAOYSA-N
XLogP19.91
TPSA288.56 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001709.85
LogP ≤ 519.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate 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
6-cyclohexyl-10-(6-fluoroquinolin-3-yl)-4-methyl-N,N-bis(2-trimethylsilylethoxymethyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-2-amine;10-(6-fluoroquinolin-3-yl)-4-methyl-6-piperidin-4-yl-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-2-amine;2,2,2-trifluoroacetic acid
CID 161815418
Methyl 2-(4-((7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)methyl)phenyl)acetate
CID 66735784
Ethyl 2-(4-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)acetate
CID 66738318
2-[4-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]butanoic acid
CID 66745142
4-{7-[Bis-(2-trimethylsilanyl-ethoxymethyl)-amino]-3-quinolin-3-yl-pyrazolo[1,5-a]pyrimidin-5-yl}-cyclohexanecarboxylic acid methyl ester
CID 67494171
Ethyl 2-(3-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)acetate
CID 67494375
2-(4-(7-(Bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-bromo-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)acetic acid
CID 67494550
Methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate
CID 70214167
CID 88214803
CID 88214803
Ethyl 2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-1-deuteriocyclohexyl]-2-deuterioacetate
CID 88579933
5-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1,2-dicarboxylic acid
CID 91038686

Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
The IUPAC name of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate (CID 158052358) is 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate.
What is the SMILES notation for 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
The canonical SMILES for 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate is C=CCCCC(=O)OC.COC(=O)CCCCCc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccccc4c3)c2n1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(CCCCCC(=O)O)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
The InChIKey is FJQCJLFHSZAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H51N5O4Si2.C27H38ClN5O2Si2.C21H21N5O2.C7H12O2/c1-41-33(40)16-10-8-9-14-29-22-32(38(25-42-17-19-44(2,3)4)26-43-18-20-45(5,6)7)39-34(37-29)30(24-36-39)28-21-27-13-11-12-15-31(27)35-23-28;1-36(2,3)13-11-34-19-32(20-35-12-14-37(4,5)6)26-16-25(28)31-27-23(18-30-33(26)27)22-15-21-9-7-8-10-24(21)29-17-22;22-19-11-16(7-2-1-3-9-20(27)28)25-21-17(13-24-26(19)21)15-10-14-6-4-5-8-18(14)23-12-15;1-3-4-5-6-7(8)9-2/h11-13,15,21-24H,8-10,14,16-20,25-26H2,1-7H3;7-10,15-18H,11-14,19-20H2,1-6H3;4-6,8,10-13H,1-3,7,9,22H2,(H,27,28);3H,1,4-6H2,2H3.
What are the key properties of 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate?
6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate has a molecular weight of 1709.85 g/mol, XLogP of 19.91, 41 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)hexanoic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methyl 6-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]hexanoate;methyl hex-5-enoate is sourced from PubChem (CID 158052358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).