5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C75H107BrN10O4SSi4 — CID 159329140

IUPAC5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C38H55N5O2SSi2.C37H52BrN5O2Si2/c1-46-36-35(32-22-28-13-14-29(21-28)23-32)41-37-33(31-15-16-34(39-24-31)30-11-9-8-10-12-30)25-40-43(37)38(36)42(26-44-17-19-47(2,3)4)27-45-18-20-48(5,6)7;1-46(2,3)18-16-44-25-42(26-45-17-19-47(4,5)6)37-34(38)35(31-21-27-12-13-28(20-27)22-31)41-36-32(24-40-43(36)37)30-14-15-33(39-23-30)29-10-8-7-9-11-29/h8-12,15-16,24-25,28-29,32H,13-14,17-23,26-27H2,1-7H3;7-11,14-15,23-24,27-28,31H,12-13,16-22,25-26H2,1-6H3
InChIKeyLETDINBGZSCBDC-UHFFFAOYSA-N
MW1437.06 g/mol
LogP19.85
Rot. Bonds29

About 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159329140) has the molecular formula C75H107BrN10O4SSi4 and a molecular weight of 1437.06 g/mol. Its IUPAC name is 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159329140
Molecular FormulaC75H107BrN10O4SSi4
Molecular Weight1437.06 g/mol
Exact Mass1434.65
IUPAC Name5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12
InChIInChI=1S/C38H55N5O2SSi2.C37H52BrN5O2Si2/c1-46-36-35(32-22-28-13-14-29(21-28)23-32)41-37-33(31-15-16-34(39-24-31)30-11-9-8-10-12-30)25-40-43(37)38(36)42(26-44-17-19-47(2,3)4)27-45-18-20-48(5,6)7;1-46(2,3)18-16-44-25-42(26-45-17-19-47(4,5)6)37-34(38)35(31-21-27-12-13-28(20-27)22-31)41-36-32(24-40-43(36)37)30-14-15-33(39-23-30)29-10-8-7-9-11-29/h8-12,15-16,24-25,28-29,32H,13-14,17-23,26-27H2,1-7H3;7-11,14-15,23-24,27-28,31H,12-13,16-22,25-26H2,1-6H3
InChIKeyLETDINBGZSCBDC-UHFFFAOYSA-N
XLogP19.85
TPSA129.56 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds29
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.06
LogP ≤ 519.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine 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

3-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 67295062
6-bromo-5-(1,1-dioxothian-4-yl)-3-(5-phenyl-2-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68074268
Tert-butyl 3-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)-6-(methylthio)-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 68273053
6-bromo-5-(1,1-dioxothian-4-yl)-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 69929320
5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128149
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-bromo-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128189
5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128191
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-methylsulfonyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128196
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128255
5-(3-azabicyclo[3.2.1]octan-3-yl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128323
6-bromo-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 71128352
5-(2-bicyclo[2.2.1]heptanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71128357

Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 159329140) is 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CSc1c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(C2CC3CCC(C3)C2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LETDINBGZSCBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55N5O2SSi2.C37H52BrN5O2Si2/c1-46-36-35(32-22-28-13-14-29(21-28)23-32)41-37-33(31-15-16-34(39-24-31)30-11-9-8-10-12-30)25-40-43(37)38(36)42(26-44-17-19-47(2,3)4)27-45-18-20-48(5,6)7;1-46(2,3)18-16-44-25-42(26-45-17-19-47(4,5)6)37-34(38)35(31-21-27-12-13-28(20-27)22-31)41-36-32(24-40-43(36)37)30-14-15-33(39-23-30)29-10-8-7-9-11-29/h8-12,15-16,24-25,28-29,32H,13-14,17-23,26-27H2,1-7H3;7-11,14-15,23-24,27-28,31H,12-13,16-22,25-26H2,1-6H3.
What are the key properties of 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1437.06 g/mol, XLogP of 19.85, 29 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[3.2.1]octanyl)-6-bromo-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-bicyclo[3.2.1]octanyl)-6-methylsulfanyl-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159329140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).