5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C27H37ClFN5O2Si2 — CID 86686735

IUPAC5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C27H37ClFN5O2Si2/c1-37(2,3)11-9-35-18-33(19-36-10-12-38(4,5)6)26-15-25(28)32-27-23(17-31-34(26)27)21-13-20-14-22(29)7-8-24(20)30-16-21/h7-8,13-17H,9-12,18-19H2,1-6H3
InChIKeyWOPNSFQXDLCMQL-UHFFFAOYSA-N
MW574.25 g/mol
LogP7.17
Rot. Bonds12

About 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 86686735) has the molecular formula C27H37ClFN5O2Si2 and a molecular weight of 574.25 g/mol. Its IUPAC name is 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID86686735
Molecular FormulaC27H37ClFN5O2Si2
Molecular Weight574.25 g/mol
Exact Mass573.22
IUPAC Name5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccc(F)cc4c3)cnn12
InChIInChI=1S/C27H37ClFN5O2Si2/c1-37(2,3)11-9-35-18-33(19-36-10-12-38(4,5)6)26-15-25(28)32-27-23(17-31-34(26)27)21-13-20-14-22(29)7-8-24(20)30-16-21/h7-8,13-17H,9-12,18-19H2,1-6H3
InChIKeyWOPNSFQXDLCMQL-UHFFFAOYSA-N
XLogP7.17
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.25
LogP ≤ 57.17
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 86686735) is 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-3-(6-fluoroquinolin-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)c1cc(Cl)nc2c(-c3cnc4ccc(F)cc4c3)cnn12.
What is the InChIKey of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WOPNSFQXDLCMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClFN5O2Si2/c1-37(2,3)11-9-35-18-33(19-36-10-12-38(4,5)6)26-15-25(28)32-27-23(17-31-34(26)27)21-13-20-14-22(29)7-8-24(20)30-16-21/h7-8,13-17H,9-12,18-19H2,1-6H3.
What are the key properties of 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 574.25 g/mol, XLogP of 7.17, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(6-fluoroquinolin-3-yl)-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 86686735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).