5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane

C82H118BClN10O6Si4 — CID 157069502

IUPAC5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane
SMILESCC1CC2C=C(B3OC(C)(C)C(C)(C)O3)CC1C2.CC1CC2C=C(c3cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n4ncc(-c5ccc(-c6ccccc6)nc5)c4n3)CC1C2.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C38H53N5O2Si2.C29H40ClN5O2Si2.C15H25BO2/c1-28-19-29-20-32(28)22-33(21-29)36-23-37(42(26-44-15-17-46(2,3)4)27-45-16-18-47(5,6)7)43-38(41-36)34(25-40-43)31-13-14-35(39-24-31)30-11-9-8-10-12-30;1-38(2,3)16-14-36-21-34(22-37-15-17-39(4,5)6)28-18-27(30)33-29-25(20-32-35(28)29)24-12-13-26(31-19-24)23-10-8-7-9-11-23;1-10-6-11-7-12(10)9-13(8-11)16-17-14(2,3)15(4,5)18-16/h8-14,21,23-25,28-29,32H,15-20,22,26-27H2,1-7H3;7-13,18-20H,14-17,21-22H2,1-6H3;8,10-12H,6-7,9H2,1-5H3
InChIKeyACGJZOQCEZRDMF-UHFFFAOYSA-N
MW1498.52 g/mol
LogP20.49
Rot. Bonds28

About 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane

5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane (PubChem CID 157069502) has the molecular formula C82H118BClN10O6Si4 and a molecular weight of 1498.52 g/mol. Its IUPAC name is 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane
PubChem CID157069502
Molecular FormulaC82H118BClN10O6Si4
Molecular Weight1498.52 g/mol
Exact Mass1496.81
IUPAC Name5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane
SMILESCC1CC2C=C(B3OC(C)(C)C(C)(C)O3)CC1C2.CC1CC2C=C(c3cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n4ncc(-c5ccc(-c6ccccc6)nc5)c4n3)CC1C2.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C38H53N5O2Si2.C29H40ClN5O2Si2.C15H25BO2/c1-28-19-29-20-32(28)22-33(21-29)36-23-37(42(26-44-15-17-46(2,3)4)27-45-16-18-47(5,6)7)43-38(41-36)34(25-40-43)31-13-14-35(39-24-31)30-11-9-8-10-12-30;1-38(2,3)16-14-36-21-34(22-37-15-17-39(4,5)6)28-18-27(30)33-29-25(20-32-35(28)29)24-12-13-26(31-19-24)23-10-8-7-9-11-23;1-10-6-11-7-12(10)9-13(8-11)16-17-14(2,3)15(4,5)18-16/h8-14,21,23-25,28-29,32H,15-20,22,26-27H2,1-7H3;7-13,18-20H,14-17,21-22H2,1-6H3;8,10-12H,6-7,9H2,1-5H3
InChIKeyACGJZOQCEZRDMF-UHFFFAOYSA-N
XLogP20.49
TPSA148.02 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001498.52
LogP ≤ 520.49
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-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane with MolForge

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Launch Full Analysis

Related Compounds

[4-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]borinan-1-yl] cyanate
CID 68111167
5-(3-bicyclo[3.2.1]octanyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128148
5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128188
5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128194
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-methyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128260
5-(3-azabicyclo[3.2.1]octan-3-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128322
5-[(1R,5S)-3-bicyclo[3.2.1]oct-2-enyl]-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128330
5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128350
5-(6-methyl-3-bicyclo[3.2.1]octanyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128351
5-(2-bicyclo[2.2.1]heptanyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128356
5-(3-bicyclo[3.2.1]octanyl)-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 78028692
5-chloro-3-(6-phenylpyridin-3-yl)-N,N-bis((2-(trimethylsilyl)ethoxy)methyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 86664788

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane?
The IUPAC name of 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane (CID 157069502) is 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane is CC1CC2C=C(B3OC(C)(C)C(C)(C)O3)CC1C2.CC1CC2C=C(c3cc(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)n4ncc(-c5ccc(-c6ccccc6)nc5)c4n3)CC1C2.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane?
The InChIKey is ACGJZOQCEZRDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H53N5O2Si2.C29H40ClN5O2Si2.C15H25BO2/c1-28-19-29-20-32(28)22-33(21-29)36-23-37(42(26-44-15-17-46(2,3)4)27-45-16-18-47(5,6)7)43-38(41-36)34(25-40-43)31-13-14-35(39-24-31)30-11-9-8-10-12-30;1-38(2,3)16-14-36-21-34(22-37-15-17-39(4,5)6)28-18-27(30)33-29-25(20-32-35(28)29)24-12-13-26(31-19-24)23-10-8-7-9-11-23;1-10-6-11-7-12(10)9-13(8-11)16-17-14(2,3)15(4,5)18-16/h8-14,21,23-25,28-29,32H,15-20,22,26-27H2,1-7H3;7-13,18-20H,14-17,21-22H2,1-6H3;8,10-12H,6-7,9H2,1-5H3.
What are the key properties of 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane?
5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane has a molecular weight of 1498.52 g/mol, XLogP of 20.49, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;4,4,5,5-tetramethyl-2-(6-methyl-3-bicyclo[3.2.1]oct-2-enyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157069502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).