methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate

C15H12BrFN4O2 — CID 21067375

IUPACmethyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
SMILESCOC(=O)CNc1cc(-c2ccccc2F)nc2c(Br)cnn12
InChIInChI=1S/C15H12BrFN4O2/c1-23-14(22)8-18-13-6-12(9-4-2-3-5-11(9)17)20-15-10(16)7-19-21(13)15/h2-7,18H,8H2,1H3
InChIKeyBXNRQNMYSQFBIG-UHFFFAOYSA-N
MW379.19 g/mol
LogP2.88
Rot. Bonds4

About methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate

methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate (PubChem CID 21067375) has the molecular formula C15H12BrFN4O2 and a molecular weight of 379.19 g/mol. Its IUPAC name is methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
PubChem CID21067375
Molecular FormulaC15H12BrFN4O2
Molecular Weight379.19 g/mol
Exact Mass378.01
IUPAC Namemethyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate
SMILESCOC(=O)CNc1cc(-c2ccccc2F)nc2c(Br)cnn12
InChIInChI=1S/C15H12BrFN4O2/c1-23-14(22)8-18-13-6-12(9-4-2-3-5-11(9)17)20-15-10(16)7-19-21(13)15/h2-7,18H,8H2,1H3
InChIKeyBXNRQNMYSQFBIG-UHFFFAOYSA-N
XLogP2.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3231326
5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665812
3-Bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 11623420
N-benzyl-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 44444384
Methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
CID 134158339
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
3-(4-Fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1474460
N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3227938
[2-(4-Fluoro-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-methoxy-ethyl)-amine
CID 3230006
3-((3-Bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 10431917

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The IUPAC name of methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate (CID 21067375) is methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The canonical SMILES for methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate is COC(=O)CNc1cc(-c2ccccc2F)nc2c(Br)cnn12.
What is the InChIKey of methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
The InChIKey is BXNRQNMYSQFBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN4O2/c1-23-14(22)8-18-13-6-12(9-4-2-3-5-11(9)17)20-15-10(16)7-19-21(13)15/h2-7,18H,8H2,1H3.
What are the key properties of methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate?
methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate has a molecular weight of 379.19 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]acetate is sourced from PubChem (CID 21067375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).