6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C31H45BrN6O3Si2 — CID 66733274

IUPAC6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C31H45BrN6O3Si2/c1-42(2,3)17-15-40-22-37(23-41-16-18-43(4,5)6)31-28(32)30(36-11-13-39-14-12-36)35-29-26(21-34-38(29)31)25-19-24-9-7-8-10-27(24)33-20-25/h7-10,19-21H,11-18,22-23H2,1-6H3
InChIKeyTUEWKAALOGOEOW-UHFFFAOYSA-N
MW685.82 g/mol
LogP6.97
Rot. Bonds13

About 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66733274) has the molecular formula C31H45BrN6O3Si2 and a molecular weight of 685.82 g/mol. Its IUPAC name is 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID66733274
Molecular FormulaC31H45BrN6O3Si2
Molecular Weight685.82 g/mol
Exact Mass684.23
IUPAC Name6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C31H45BrN6O3Si2/c1-42(2,3)17-15-40-22-37(23-41-16-18-43(4,5)6)31-28(32)30(36-11-13-39-14-12-36)35-29-26(21-34-38(29)31)25-19-24-9-7-8-10-27(24)33-20-25/h7-10,19-21H,11-18,22-23H2,1-6H3
InChIKeyTUEWKAALOGOEOW-UHFFFAOYSA-N
XLogP6.97
TPSA77.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.82
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 66733274) is 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1c(Br)c(N2CCOCC2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TUEWKAALOGOEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45BrN6O3Si2/c1-42(2,3)17-15-40-22-37(23-41-16-18-43(4,5)6)31-28(32)30(36-11-13-39-14-12-36)35-29-26(21-34-38(29)31)25-19-24-9-7-8-10-27(24)33-20-25/h7-10,19-21H,11-18,22-23H2,1-6H3.
What are the key properties of 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 685.82 g/mol, XLogP of 6.97, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-morpholin-4-yl-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66733274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).