2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol

C72H115BrN10O7Si4 — CID 158042589

IUPAC2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c(Br)c(C4C[C@H]5CC[C@@H](C4)C5)nc23)cn1.CCO/C=C\c1c(C2C[C@H]3CC[C@@H](C2)C3)nc2c(-c3ccc(C(C)(C)O)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C
InChIInChI=1S/C38H61N5O4Si2.C34H54BrN5O3Si2/c1-10-45-16-15-32-35(31-22-28-11-12-29(21-28)23-31)41-36-33(30-13-14-34(39-24-30)38(2,3)44)25-40-43(36)37(32)42(26-46-17-19-48(4,5)6)27-47-18-20-49(7,8)9;1-34(2,41)29-12-11-26(20-36-29)28-21-37-40-32(28)38-31(27-18-24-9-10-25(17-24)19-27)30(35)33(40)39(22-42-13-15-44(3,4)5)23-43-14-16-45(6,7)8/h13-16,24-25,28-29,31,44H,10-12,17-23,26-27H2,1-9H3;11-12,20-21,24-25,27,41H,9-10,13-19,22-23H2,1-8H3/b16-15-;/t28-,29+,31?;24-,25+,27?
InChIKeyFINLNEPZIUZEAH-KQTDDOEMSA-N
MW1425.02 g/mol
LogP17.26
Rot. Bonds31

About 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol

2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol (PubChem CID 158042589) has the molecular formula C72H115BrN10O7Si4 and a molecular weight of 1425.02 g/mol. Its IUPAC name is 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol
PubChem CID158042589
Molecular FormulaC72H115BrN10O7Si4
Molecular Weight1425.02 g/mol
Exact Mass1422.72
IUPAC Name2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c(Br)c(C4C[C@H]5CC[C@@H](C4)C5)nc23)cn1.CCO/C=C\c1c(C2C[C@H]3CC[C@@H](C2)C3)nc2c(-c3ccc(C(C)(C)O)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C
InChIInChI=1S/C38H61N5O4Si2.C34H54BrN5O3Si2/c1-10-45-16-15-32-35(31-22-28-11-12-29(21-28)23-31)41-36-33(30-13-14-34(39-24-30)38(2,3)44)25-40-43(36)37(32)42(26-46-17-19-48(4,5)6)27-47-18-20-49(7,8)9;1-34(2,41)29-12-11-26(20-36-29)28-21-37-40-32(28)38-31(27-18-24-9-10-25(17-24)19-27)30(35)33(40)39(22-42-13-15-44(3,4)5)23-43-14-16-45(6,7)8/h13-16,24-25,28-29,31,44H,10-12,17-23,26-27H2,1-9H3;11-12,20-21,24-25,27,41H,9-10,13-19,22-23H2,1-8H3/b16-15-;/t28-,29+,31?;24-,25+,27?
InChIKeyFINLNEPZIUZEAH-KQTDDOEMSA-N
XLogP17.26
TPSA179.25 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds31
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.02
LogP ≤ 517.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

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'}

Analyze 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-6-[(Z)-2-ethoxyethenyl]-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 90227999
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 71128278
5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbaldehyde;5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbaldehyde;palladium;tributyl-[(Z)-prop-1-enyl]stannane;tetrakis(triphenylphosphane)
CID 158098912
4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(2-ethoxyethenyl)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylic acid
CID 123940085
tert-butyl (1R,5S)-3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-formyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 87343667
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-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanol
CID 71128266
5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-6-isocyano-3-(6-phenyl-3-pyridinyl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158085080
5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carbaldehyde
CID 89296937
2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-oxoacetic acid
CID 67494456
tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-(1-ethoxyethenyl)-3-[6-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67295085
2-[4-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]-2-fluoroacetic acid
CID 87421796

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol (CID 158042589) is 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1ccc(-c2cnn3c(N(COCC[Si](C)(C)C)COCC[Si](C)(C)C)c(Br)c(C4C[C@H]5CC[C@@H](C4)C5)nc23)cn1.CCO/C=C\c1c(C2C[C@H]3CC[C@@H](C2)C3)nc2c(-c3ccc(C(C)(C)O)nc3)cnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.
What is the InChIKey of 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol?
The InChIKey is FINLNEPZIUZEAH-KQTDDOEMSA-N. The full InChI is InChI=1S/C38H61N5O4Si2.C34H54BrN5O3Si2/c1-10-45-16-15-32-35(31-22-28-11-12-29(21-28)23-31)41-36-33(30-13-14-34(39-24-30)38(2,3)44)25-40-43(36)37(32)42(26-46-17-19-48(4,5)6)27-47-18-20-49(7,8)9;1-34(2,41)29-12-11-26(20-36-29)28-21-37-40-32(28)38-31(27-18-24-9-10-25(17-24)19-27)30(35)33(40)39(22-42-13-15-44(3,4)5)23-43-14-16-45(6,7)8/h13-16,24-25,28-29,31,44H,10-12,17-23,26-27H2,1-9H3;11-12,20-21,24-25,27,41H,9-10,13-19,22-23H2,1-8H3/b16-15-;/t28-,29+,31?;24-,25+,27?.
What are the key properties of 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol?
2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol has a molecular weight of 1425.02 g/mol, XLogP of 17.26, 31 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[(1R,5S)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol;2-[5-[5-[(1S,5R)-3-bicyclo[3.2.1]octanyl]-7-[bis(2-trimethylsilylethoxymethyl)amino]-6-[(Z)-2-ethoxyethenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 158042589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).