5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H14BrN5S — CID 70878925

IUPAC5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCc3cccnc3)cc(-c3sccc3Br)nc12
InChIInChI=1S/C17H14BrN5S/c1-11-8-21-23-15(20-10-12-3-2-5-19-9-12)7-14(22-17(11)23)16-13(18)4-6-24-16/h2-9,20H,10H2,1H3
InChIKeyLHAQYFRHTGLSQJ-UHFFFAOYSA-N
MW400.31 g/mol
LogP4.54
Rot. Bonds4

About 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70878925) has the molecular formula C17H14BrN5S and a molecular weight of 400.31 g/mol. Its IUPAC name is 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70878925
Molecular FormulaC17H14BrN5S
Molecular Weight400.31 g/mol
Exact Mass399.02
IUPAC Name5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(NCc3cccnc3)cc(-c3sccc3Br)nc12
InChIInChI=1S/C17H14BrN5S/c1-11-8-21-23-15(20-10-12-3-2-5-19-9-12)7-14(22-17(11)23)16-13(18)4-6-24-16/h2-9,20H,10H2,1H3
InChIKeyLHAQYFRHTGLSQJ-UHFFFAOYSA-N
XLogP4.54
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 70878925) is 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(NCc3cccnc3)cc(-c3sccc3Br)nc12.
What is the InChIKey of 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LHAQYFRHTGLSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5S/c1-11-8-21-23-15(20-10-12-3-2-5-19-9-12)7-14(22-17(11)23)16-13(18)4-6-24-16/h2-9,20H,10H2,1H3.
What are the key properties of 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 400.31 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromothiophen-2-yl)-3-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70878925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).