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

C27H38ClN5O2Si2 — CID 66733571

IUPAC2-chloro-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)c1ccnc2c(-c3cnc4ccccc4c3)c(Cl)nn12
InChIInChI=1S/C27H38ClN5O2Si2/c1-36(2,3)15-13-34-19-32(20-35-14-16-37(4,5)6)24-11-12-29-27-25(26(28)31-33(24)27)22-17-21-9-7-8-10-23(21)30-18-22/h7-12,17-18H,13-16,19-20H2,1-6H3
InChIKeyKPMMZVRQZFIBLX-UHFFFAOYSA-N
MW556.26 g/mol
LogP7.03
Rot. Bonds12

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

2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 66733571) has the molecular formula C27H38ClN5O2Si2 and a molecular weight of 556.26 g/mol. Its IUPAC name is 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID66733571
Molecular FormulaC27H38ClN5O2Si2
Molecular Weight556.26 g/mol
Exact Mass555.23
IUPAC Name2-chloro-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)c1ccnc2c(-c3cnc4ccccc4c3)c(Cl)nn12
InChIInChI=1S/C27H38ClN5O2Si2/c1-36(2,3)15-13-34-19-32(20-35-14-16-37(4,5)6)24-11-12-29-27-25(26(28)31-33(24)27)22-17-21-9-7-8-10-23(21)30-18-22/h7-12,17-18H,13-16,19-20H2,1-6H3
InChIKeyKPMMZVRQZFIBLX-UHFFFAOYSA-N
XLogP7.03
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.26
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Related Compounds

4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Pyrazolo pyrimidine, 5k
CID 25196900
1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905200
4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223354
[3-(3,5-Dichloro-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-methoxy-ethyl)-propyl-amine
CID 44392707
[3-(3,5-Dichloro-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-bis-(2-methoxy-ethyl)-amine
CID 44392723
1-Tert-butyl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70682514
1-Propan-2-yl-3-quinolin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 70686738
4-Methyl-2-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)quinazoline
CID 145949747
4-(Pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44577771
6-((6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinoline
CID 24968367
(E)-N-ethoxy-1-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanimine
CID 58190492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 66733571) is 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-chloro-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)c1ccnc2c(-c3cnc4ccccc4c3)c(Cl)nn12.
What is the InChIKey of 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KPMMZVRQZFIBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38ClN5O2Si2/c1-36(2,3)15-13-34-19-32(20-35-14-16-37(4,5)6)24-11-12-29-27-25(26(28)31-33(24)27)22-17-21-9-7-8-10-23(21)30-18-22/h7-12,17-18H,13-16,19-20H2,1-6H3.
What are the key properties of 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 556.26 g/mol, XLogP of 7.03, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 66733571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).