5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C64H92BClF2N10O6Si4 — CID 158202825

IUPAC5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C29H40FN5O2Si2.C27H37ClFN5O2Si2.C8H15BO2/c1-8-25-17-28(34(20-36-11-13-38(2,3)4)21-37-12-14-39(5,6)7)35-29(33-25)26(19-32-35)23-15-22-16-24(30)9-10-27(22)31-18-23;1-37(2,3)11-9-35-18-33(19-36-10-12-38(4,5)6)26-15-25(28)32-27-23(17-31-34(26)27)21-13-20-14-22(29)7-8-24(20)30-16-21;1-6-9-10-7(2,3)8(4,5)11-9/h8-10,15-19H,1,11-14,20-21H2,2-7H3;7-8,13-17H,9-12,18-19H2,1-6H3;6H,1H2,2-5H3
InChIKeyGBDJFANWNVCNPR-UHFFFAOYSA-N
MW1294.11 g/mol
LogP16.13
Rot. Bonds26

About 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158202825) has the molecular formula C64H92BClF2N10O6Si4 and a molecular weight of 1294.11 g/mol. Its IUPAC name is 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID158202825
Molecular FormulaC64H92BClF2N10O6Si4
Molecular Weight1294.11 g/mol
Exact Mass1292.60
IUPAC Name5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESC=CB1OC(C)(C)C(C)(C)O1.C=Cc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C29H40FN5O2Si2.C27H37ClFN5O2Si2.C8H15BO2/c1-8-25-17-28(34(20-36-11-13-38(2,3)4)21-37-12-14-39(5,6)7)35-29(33-25)26(19-32-35)23-15-22-16-24(30)9-10-27(22)31-18-23;1-37(2,3)11-9-35-18-33(19-36-10-12-38(4,5)6)26-15-25(28)32-27-23(17-31-34(26)27)21-13-20-14-22(29)7-8-24(20)30-16-21;1-6-9-10-7(2,3)8(4,5)11-9/h8-10,15-19H,1,11-14,20-21H2,2-7H3;7-8,13-17H,9-12,18-19H2,1-6H3;6H,1H2,2-5H3
InChIKeyGBDJFANWNVCNPR-UHFFFAOYSA-N
XLogP16.13
TPSA148.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001294.11
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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'}

Analyze 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-aminoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 66584565
3-(6-fluoroquinolin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)-5-vinylpyrazolo[1,5-a]pyrimidin-7-amine
CID 66584619
(1-Benzylpiperidin-4-yl)methyl-[7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]carbamic acid
CID 66733894
Tert-butyl 4-(allyl(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-bromo-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)amino)piperidine-1-carboxylate
CID 66980187
5-N-(1-tert-butylpiperidin-4-yl)-3-(6-fluoroquinolin-3-yl)-7-N,7-N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 66980203
tert-butyl 4-(8-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(6-fluoroquinolin-3-yl)-7-methyl-5H-pyrazolo[1,5-a]pyrrolo[2,3-d]pyrimidin-5-yl)piperidine-1-carboxylate
CID 66980243
Tert-butyl 4-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 66980260
Tert-butyl 4-[8-[bis(2-trimethylsilylethoxymethyl)amino]-4-(6-fluoroquinolin-3-yl)-12-oxo-2,6,7,13-tetrazatricyclo[7.4.0.03,7]trideca-1,3,5,8-tetraen-13-yl]piperidine-1-carboxylate
CID 66980334
N5-((1-benzylpiperidin-4-yl)methyl)-3-(6-fluoroquinolin-3-yl)-N7,N7-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 67494484
5-(1-azidoethyl)-3-(6-fluoroquinolin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86664796
Tert-butyl (1-benzylpiperidin-4-yl)methyl(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(6-fluoroquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)carbamate
CID 86664797
5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86686735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158202825) is 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n2ncc(-c3cnc4ccc(F)cc4c3)c2n1.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccc(F)cc4c3)cnn12.
What is the InChIKey of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is GBDJFANWNVCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FN5O2Si2.C27H37ClFN5O2Si2.C8H15BO2/c1-8-25-17-28(34(20-36-11-13-38(2,3)4)21-37-12-14-39(5,6)7)35-29(33-25)26(19-32-35)23-15-22-16-24(30)9-10-27(22)31-18-23;1-37(2,3)11-9-35-18-33(19-36-10-12-38(4,5)6)26-15-25(28)32-27-23(17-31-34(26)27)21-13-20-14-22(29)7-8-24(20)30-16-21;1-6-9-10-7(2,3)8(4,5)11-9/h8-10,15-19H,1,11-14,20-21H2,2-7H3;7-8,13-17H,9-12,18-19H2,1-6H3;6H,1H2,2-5H3.
What are the key properties of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1294.11 g/mol, XLogP of 16.13, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-ethenyl-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158202825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).